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

C135H157Cl9F8N10O24S5 — CID 159301501

IUPAC4-[[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
SMILESCOC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C3(c4cc(Cl)cc(Cl)c4)COC3)CC2)cc1F.C[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(C3(c4cc(Cl)cc(Cl)c4)COC3)CC2)cc1F
InChIInChI=1S/C28H31Cl2FN2O5S.2C27H33Cl2FN2O5S.C27H31ClF4N2O4S.C26H29Cl2FN2O5S/c29-20-9-19(10-21(30)11-20)28(15-37-16-28)33-7-5-17(6-8-33)14-38-26-13-25(31)24(12-23(26)18-1-2-18)27(34)32-39(35,36)22-3-4-22;2*1-27(6-8-32(9-7-27)24(15-36-2)18-10-19(28)12-20(29)11-18)16-37-25-14-23(30)22(13-21(25)17-4-5-17)26(33)31-38(3,34)35;1-16(18-10-19(27(30,31)32)12-20(28)11-18)34-8-6-26(2,7-9-34)15-38-24-14-23(29)22(13-21(24)17-4-5-17)25(35)33-39(3,36)37;1-37(33,34)30-25(32)22-11-21(17-2-3-17)24(12-23(22)29)36-13-16-4-6-31(7-5-16)26(14-35-15-26)18-8-19(27)10-20(28)9-18/h9-13,17-18,22H,1-8,14-16H2,(H,32,34);2*10-14,17,24H,4-9,15-16H2,1-3H3,(H,31,33);10-14,16-17H,4-9,15H2,1-3H3,(H,33,35);8-12,16-17H,2-7,13-15H2,1H3,(H,30,32)/t;2*24-;16-;/m.100./s1
InChIKeyLBJWSGMQPXWXJN-RGKHTRMASA-N
MW2935.18 g/mol
LogP27.41
Rot. Bonds45

About 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

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 (PubChem CID 159301501) has the molecular formula C135H157Cl9F8N10O24S5 and a molecular weight of 2935.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID159301501
Molecular FormulaC135H157Cl9F8N10O24S5
Molecular Weight2935.18 g/mol
Exact Mass2928.70
IUPAC Name4-[[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
SMILESCOC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C3(c4cc(Cl)cc(Cl)c4)COC3)CC2)cc1F.C[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(C3(c4cc(Cl)cc(Cl)c4)COC3)CC2)cc1F
InChIInChI=1S/C28H31Cl2FN2O5S.2C27H33Cl2FN2O5S.C27H31ClF4N2O4S.C26H29Cl2FN2O5S/c29-20-9-19(10-21(30)11-20)28(15-37-16-28)33-7-5-17(6-8-33)14-38-26-13-25(31)24(12-23(26)18-1-2-18)27(34)32-39(35,36)22-3-4-22;2*1-27(6-8-32(9-7-27)24(15-36-2)18-10-19(28)12-20(29)11-18)16-37-25-14-23(30)22(13-21(25)17-4-5-17)26(33)31-38(3,34)35;1-16(18-10-19(27(30,31)32)12-20(28)11-18)34-8-6-26(2,7-9-34)15-38-24-14-23(29)22(13-21(24)17-4-5-17)25(35)33-39(3,36)37;1-37(33,34)30-25(32)22-11-21(17-2-3-17)24(12-23(22)29)36-13-16-4-6-31(7-5-16)26(14-35-15-26)18-8-19(27)10-20(28)9-18/h9-13,17-18,22H,1-8,14-16H2,(H,32,34);2*10-14,17,24H,4-9,15-16H2,1-3H3,(H,31,33);10-14,16-17H,4-9,15H2,1-3H3,(H,33,35);8-12,16-17H,2-7,13-15H2,1H3,(H,30,32)/t;2*24-;16-;/m.100./s1
InChIKeyLBJWSGMQPXWXJN-RGKHTRMASA-N
XLogP27.41
TPSA415.47 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds45
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002935.18
LogP ≤ 527.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-methoxyethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111413
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[1-(3,5-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluorobenzamide
CID 118110701
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzamide
CID 118110907
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
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide
CID 129295994
5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111342
5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)-2-methoxyethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfanylbenzamide
CID 144850757
(2S,4R)-1-[5-cyclopropyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid;(2S,4R)-1-[5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 157429859
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
N-cyclopropylsulfonyl-4-[[1-[1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluoro-5-methylbenzamide
CID 118110982
5-cyclopropyl-4-[[1-[1-(2,4-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118110736
4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluorobenzamide;5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-4-fluoropiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[(3R,6R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-6-methylpiperidin-3-yl]methoxy]-N-ethylsulfonyl-2-fluorobenzamide
CID 161431646

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.COC[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C3(c4cc(Cl)cc(Cl)c4)COC3)CC2)cc1F.C[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCC(C)(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(C3(c4cc(Cl)cc(Cl)c4)COC3)CC2)cc1F.
What is the InChIKey of 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?
The InChIKey is LBJWSGMQPXWXJN-RGKHTRMASA-N. The full InChI is InChI=1S/C28H31Cl2FN2O5S.2C27H33Cl2FN2O5S.C27H31ClF4N2O4S.C26H29Cl2FN2O5S/c29-20-9-19(10-21(30)11-20)28(15-37-16-28)33-7-5-17(6-8-33)14-38-26-13-25(31)24(12-23(26)18-1-2-18)27(34)32-39(35,36)22-3-4-22;2*1-27(6-8-32(9-7-27)24(15-36-2)18-10-19(28)12-20(29)11-18)16-37-25-14-23(30)22(13-21(25)17-4-5-17)26(33)31-38(3,34)35;1-16(18-10-19(27(30,31)32)12-20(28)11-18)34-8-6-26(2,7-9-34)15-38-24-14-23(29)22(13-21(24)17-4-5-17)25(35)33-39(3,36)37;1-37(33,34)30-25(32)22-11-21(17-2-3-17)24(12-23(22)29)36-13-16-4-6-31(7-5-16)26(14-35-15-26)18-8-19(27)10-20(28)9-18/h9-13,17-18,22H,1-8,14-16H2,(H,32,34);2*10-14,17,24H,4-9,15-16H2,1-3H3,(H,31,33);10-14,16-17H,4-9,15H2,1-3H3,(H,33,35);8-12,16-17H,2-7,13-15H2,1H3,(H,30,32)/t;2*24-;16-;/m.100./s1.
What are the key properties of 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?
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 has a molecular weight of 2935.18 g/mol, XLogP of 27.41, 45 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159301501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).