4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide

C177H206Cl9F13N14O32S7 — CID 157483466

IUPAC4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide
SMILESCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F.COC[C@@H](c1ccc(F)c(C(F)(F)F)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@@H](c1ccc(F)c(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@H](c1ccc(F)c(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COc1ccc(CN2CCC(COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3C3CC3)CC2)cc1Cl.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)C1.C[C@H](c1cc(Cl)cc(Cl)c1)N1CC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)C1
InChIInChI=1S/C27H31F5N2O5S.2C26H31ClF2N2O5S.C25H29Cl2FN2O4S.C25H30ClFN2O5S.2C24H27Cl2FN2O4S/c1-38-15-24(18-5-6-22(28)21(11-18)27(30,31)32)34-9-7-16(8-10-34)14-39-25-13-23(29)20(12-19(25)17-3-4-17)26(35)33-40(2,36)37;2*1-35-15-24(18-5-6-22(28)21(27)11-18)31-9-7-16(8-10-31)14-36-25-13-23(29)20(12-19(25)17-3-4-17)26(32)30-37(2,33)34;1-2-35(32,33)29-25(31)22-12-21(18-3-4-18)24(13-23(22)28)34-15-16-5-7-30(8-6-16)14-17-9-19(26)11-20(27)10-17;1-33-23-6-3-17(11-21(23)26)14-29-9-7-16(8-10-29)15-34-24-13-22(27)20(12-19(24)18-4-5-18)25(30)28-35(2,31)32;2*1-14(16-6-17(25)8-18(26)7-16)29-11-24(2,12-29)13-33-22-10-21(27)20(9-19(22)15-4-5-15)23(30)28-34(3,31)32/h5-6,11-13,16-17,24H,3-4,7-10,14-15H2,1-2H3,(H,33,35);2*5-6,11-13,16-17,24H,3-4,7-10,14-15H2,1-2H3,(H,30,32);9-13,16,18H,2-8,14-15H2,1H3,(H,29,31);3,6,11-13,16,18H,4-5,7-10,14-15H2,1-2H3,(H,28,30);2*6-10,14-15H,4-5,11-13H2,1-3H3,(H,28,30)/t3*24-;;;2*14-/m010..10/s1
InChIKeyBWKRSOYJIGNPQH-MFZATFALSA-N
MW3832.18 g/mol
LogP34.40
Rot. Bonds64

About 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide

4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide (PubChem CID 157483466) has the molecular formula C177H206Cl9F13N14O32S7 and a molecular weight of 3832.18 g/mol. Its IUPAC name is 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide
PubChem CID157483466
Molecular FormulaC177H206Cl9F13N14O32S7
Molecular Weight3832.18 g/mol
Exact Mass3825.00
IUPAC Name4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide
SMILESCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F.COC[C@@H](c1ccc(F)c(C(F)(F)F)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@@H](c1ccc(F)c(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@H](c1ccc(F)c(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COc1ccc(CN2CCC(COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3C3CC3)CC2)cc1Cl.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)C1.C[C@H](c1cc(Cl)cc(Cl)c1)N1CC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)C1
InChIInChI=1S/C27H31F5N2O5S.2C26H31ClF2N2O5S.C25H29Cl2FN2O4S.C25H30ClFN2O5S.2C24H27Cl2FN2O4S/c1-38-15-24(18-5-6-22(28)21(11-18)27(30,31)32)34-9-7-16(8-10-34)14-39-25-13-23(29)20(12-19(25)17-3-4-17)26(35)33-40(2,36)37;2*1-35-15-24(18-5-6-22(28)21(27)11-18)31-9-7-16(8-10-31)14-36-25-13-23(29)20(12-19(25)17-3-4-17)26(32)30-37(2,33)34;1-2-35(32,33)29-25(31)22-12-21(18-3-4-18)24(13-23(22)28)34-15-16-5-7-30(8-6-16)14-17-9-19(26)11-20(27)10-17;1-33-23-6-3-17(11-21(23)26)14-29-9-7-16(8-10-29)15-34-24-13-22(27)20(12-19(24)18-4-5-18)25(30)28-35(2,31)32;2*1-14(16-6-17(25)8-18(26)7-16)29-11-24(2,12-29)13-33-22-10-21(27)20(9-19(22)15-4-5-15)23(30)28-34(3,31)32/h5-6,11-13,16-17,24H,3-4,7-10,14-15H2,1-2H3,(H,33,35);2*5-6,11-13,16-17,24H,3-4,7-10,14-15H2,1-2H3,(H,30,32);9-13,16,18H,2-8,14-15H2,1H3,(H,29,31);3,6,11-13,16,18H,4-5,7-10,14-15H2,1-2H3,(H,28,30);2*6-10,14-15H,4-5,11-13H2,1-3H3,(H,28,30)/t3*24-;;;2*14-/m010..10/s1
InChIKeyBWKRSOYJIGNPQH-MFZATFALSA-N
XLogP34.40
TPSA566.89 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds64
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003832.18
LogP ≤ 534.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide with MolForge

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Related Compounds

5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide
CID 118111050
4-[[1-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110940
5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111314
5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-methoxyethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111413
5-cyclopropyl-4-[[1-[1-(2,4-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118110736
5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-methoxy-2-methylpropyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)-2-methoxy-2-methylpropyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-4-[[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-4-[[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 161302209
4-[[1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[3-(3,5-dichlorophenyl)oxetan-3-yl]piperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-methoxyethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)-2-methoxyethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[3-(3,5-dichlorophenyl)oxetan-3-yl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 159301501
4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 162067376
5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111342
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[1-(3,5-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluorobenzamide
CID 118110701
4-[[1-[(3-chloro-5-cyclopropyloxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 122700254
4-[[1-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichloro-2-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(2,4-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)propyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)propyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 158299033

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide (CID 157483466) is 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide is CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F.COC[C@@H](c1ccc(F)c(C(F)(F)F)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@@H](c1ccc(F)c(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@H](c1ccc(F)c(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COc1ccc(CN2CCC(COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3C3CC3)CC2)cc1Cl.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)C1.C[C@H](c1cc(Cl)cc(Cl)c1)N1CC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)C1.
What is the InChIKey of 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide?
The InChIKey is BWKRSOYJIGNPQH-MFZATFALSA-N. The full InChI is InChI=1S/C27H31F5N2O5S.2C26H31ClF2N2O5S.C25H29Cl2FN2O4S.C25H30ClFN2O5S.2C24H27Cl2FN2O4S/c1-38-15-24(18-5-6-22(28)21(11-18)27(30,31)32)34-9-7-16(8-10-34)14-39-25-13-23(29)20(12-19(25)17-3-4-17)26(35)33-40(2,36)37;2*1-35-15-24(18-5-6-22(28)21(27)11-18)31-9-7-16(8-10-31)14-36-25-13-23(29)20(12-19(25)17-3-4-17)26(32)30-37(2,33)34;1-2-35(32,33)29-25(31)22-12-21(18-3-4-18)24(13-23(22)28)34-15-16-5-7-30(8-6-16)14-17-9-19(26)11-20(27)10-17;1-33-23-6-3-17(11-21(23)26)14-29-9-7-16(8-10-29)15-34-24-13-22(27)20(12-19(24)18-4-5-18)25(30)28-35(2,31)32;2*1-14(16-6-17(25)8-18(26)7-16)29-11-24(2,12-29)13-33-22-10-21(27)20(9-19(22)15-4-5-15)23(30)28-34(3,31)32/h5-6,11-13,16-17,24H,3-4,7-10,14-15H2,1-2H3,(H,33,35);2*5-6,11-13,16-17,24H,3-4,7-10,14-15H2,1-2H3,(H,30,32);9-13,16,18H,2-8,14-15H2,1H3,(H,29,31);3,6,11-13,16,18H,4-5,7-10,14-15H2,1-2H3,(H,28,30);2*6-10,14-15H,4-5,11-13H2,1-3H3,(H,28,30)/t3*24-;;;2*14-/m010..10/s1.
What are the key properties of 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide?
4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide has a molecular weight of 3832.18 g/mol, XLogP of 34.40, 64 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylazetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide;5-cyclopropyl-2-fluoro-4-[[1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyethyl]piperidin-4-yl]methoxy]-N-methylsulfonylbenzamide is sourced from PubChem (CID 157483466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).