4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate

C186H215Cl8F17N17O25S7-3 — CID 162010436

IUPAC4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate
SMILESCC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1.CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)CC1.CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F.CS(=O)[O-].C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@@H](C)c1cc(Cl)cc(Cl)c1.C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@@H](C)c1cc(Cl)cc(Cl)c1.C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@H](C)c1cc(Cl)cc(Cl)c1.O=S([O-])C1CC1.O=S([O-])C1CC1
InChIInChI=1S/C31H35FN2O4S.C27H29F7N2O4S.C26H29ClF4N2O4S.3C24H28Cl2FN3O.C23H25ClF2N2O4S.2C3H6O2S.CH4O2S/c1-31(15-17-34(18-16-31)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24)21-38-28-20-27(32)26(19-25(28)22-13-14-22)30(35)33-39(2,36)37;1-25(15-40-23-13-22(28)20(12-19(23)16-3-4-16)24(37)35-41(2,38)39)7-9-36(10-8-25)14-17-11-18(26(29,30)31)5-6-21(17)27(32,33)34;1-25(7-9-33(10-8-25)14-17-11-18(27)5-6-21(17)26(29,30)31)15-37-23-13-22(28)20(12-19(23)16-3-4-16)24(34)32-38(2,35)36;3*1-14-12-29(5-6-30(14)15(2)17-7-19(25)10-20(26)8-17)13-18-9-23(27)22(24(28)31)11-21(18)16-3-4-16;1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24;2*4-6(5)3-1-2-3;1-4(2)3/h3-12,19-20,22,29H,13-18,21H2,1-2H3,(H,33,35);5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,35,37);5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,32,34);3*7-11,14-16H,3-6,12-13H2,1-2H3,(H2,28,31);6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29);2*3H,1-2H2,(H,4,5);1H3,(H,2,3)/p-3/t;;;2*14-,15+;14-,15-;17-;;;/m...1110.../s1
InChIKeyHNGPIYMNODCQEE-OGGSJHIOSA-K
MW3919.92 g/mol
LogP37.43
Rot. Bonds52

About 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate

4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate (PubChem CID 162010436) has the molecular formula C186H215Cl8F17N17O25S7-3 and a molecular weight of 3919.92 g/mol. Its IUPAC name is 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate.

Molecular Properties

Compound Name4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate
PubChem CID162010436
Molecular FormulaC186H215Cl8F17N17O25S7-3
Molecular Weight3919.92 g/mol
Exact Mass3913.14
IUPAC Name4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate
SMILESCC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1.CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)CC1.CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F.CS(=O)[O-].C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@@H](C)c1cc(Cl)cc(Cl)c1.C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@@H](C)c1cc(Cl)cc(Cl)c1.C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@H](C)c1cc(Cl)cc(Cl)c1.O=S([O-])C1CC1.O=S([O-])C1CC1
InChIInChI=1S/C31H35FN2O4S.C27H29F7N2O4S.C26H29ClF4N2O4S.3C24H28Cl2FN3O.C23H25ClF2N2O4S.2C3H6O2S.CH4O2S/c1-31(15-17-34(18-16-31)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24)21-38-28-20-27(32)26(19-25(28)22-13-14-22)30(35)33-39(2,36)37;1-25(15-40-23-13-22(28)20(12-19(23)16-3-4-16)24(37)35-41(2,38)39)7-9-36(10-8-25)14-17-11-18(26(29,30)31)5-6-21(17)27(32,33)34;1-25(7-9-33(10-8-25)14-17-11-18(27)5-6-21(17)26(29,30)31)15-37-23-13-22(28)20(12-19(23)16-3-4-16)24(34)32-38(2,35)36;3*1-14-12-29(5-6-30(14)15(2)17-7-19(25)10-20(26)8-17)13-18-9-23(27)22(24(28)31)11-21(18)16-3-4-16;1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24;2*4-6(5)3-1-2-3;1-4(2)3/h3-12,19-20,22,29H,13-18,21H2,1-2H3,(H,33,35);5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,35,37);5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,32,34);3*7-11,14-16H,3-6,12-13H2,1-2H3,(H2,28,31);6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29);2*3H,1-2H2,(H,4,5);1H3,(H,2,3)/p-3/t;;;2*14-,15+;14-,15-;17-;;;/m...1110.../s1
InChIKeyHNGPIYMNODCQEE-OGGSJHIOSA-K
XLogP37.43
TPSA571.94 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003919.92
LogP ≤ 537.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate with MolForge

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Related Compounds

bis(azetidine-1-sulfinate);4-[(3R)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;tris(5-cyclopropyl-4-[(3R)-1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide);bis(5-cyclopropyl-2-fluoro-4-[(3R)-1-phenylpiperidin-3-yl]oxybenzamide);methanesulfinate
CID 162127110
5-cyclopropyl-4-[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
CID 118110681
5-cyclopropyl-4-[[(3S)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate
CID 157195862
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
4-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110695
5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide
CID 118120457
4-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110458
4-[1-[(2-chloro-4-fluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110574
5-cyclopropyl-4-[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
CID 118110875
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[(3R)-1-[(2-phenylphenyl)methyl]piperidin-3-yl]oxybenzamide;2,2,2-trifluoroacetic acid
CID 118111371
4-[[2-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 126732813
5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-methoxyethyl]-4-methylpiperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111413

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate?
The IUPAC name of 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate (CID 162010436) is 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate.
What is the SMILES notation for 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate?
The canonical SMILES for 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate is CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1.CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)CC1.CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F.CS(=O)[O-].C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@@H](C)c1cc(Cl)cc(Cl)c1.C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@@H](C)c1cc(Cl)cc(Cl)c1.C[C@@H]1CN(Cc2cc(F)c(C(N)=O)cc2C2CC2)CCN1[C@H](C)c1cc(Cl)cc(Cl)c1.O=S([O-])C1CC1.O=S([O-])C1CC1.
What is the InChIKey of 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate?
The InChIKey is HNGPIYMNODCQEE-OGGSJHIOSA-K. The full InChI is InChI=1S/C31H35FN2O4S.C27H29F7N2O4S.C26H29ClF4N2O4S.3C24H28Cl2FN3O.C23H25ClF2N2O4S.2C3H6O2S.CH4O2S/c1-31(15-17-34(18-16-31)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24)21-38-28-20-27(32)26(19-25(28)22-13-14-22)30(35)33-39(2,36)37;1-25(15-40-23-13-22(28)20(12-19(23)16-3-4-16)24(37)35-41(2,38)39)7-9-36(10-8-25)14-17-11-18(26(29,30)31)5-6-21(17)27(32,33)34;1-25(7-9-33(10-8-25)14-17-11-18(27)5-6-21(17)26(29,30)31)15-37-23-13-22(28)20(12-19(23)16-3-4-16)24(34)32-38(2,35)36;3*1-14-12-29(5-6-30(14)15(2)17-7-19(25)10-20(26)8-17)13-18-9-23(27)22(24(28)31)11-21(18)16-3-4-16;1-33(30,31)27-23(29)19-10-18(14-4-5-14)22(11-21(19)26)32-17-3-2-8-28(13-17)12-15-6-7-16(25)9-20(15)24;2*4-6(5)3-1-2-3;1-4(2)3/h3-12,19-20,22,29H,13-18,21H2,1-2H3,(H,33,35);5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,35,37);5-6,11-13,16H,3-4,7-10,14-15H2,1-2H3,(H,32,34);3*7-11,14-16H,3-6,12-13H2,1-2H3,(H2,28,31);6-7,9-11,14,17H,2-5,8,12-13H2,1H3,(H,27,29);2*3H,1-2H2,(H,4,5);1H3,(H,2,3)/p-3/t;;;2*14-,15+;14-,15-;17-;;;/m...1110.../s1.
What are the key properties of 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate?
4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate has a molecular weight of 3919.92 g/mol, XLogP of 37.43, 52 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzhydryl-4-methylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;cyclopropanesulfinate;bis(5-cyclopropyl-4-[[(3R)-4-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide);5-cyclopropyl-4-[[(3R)-4-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperazin-1-yl]methyl]-2-fluorobenzamide;methanesulfinate is sourced from PubChem (CID 162010436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).