1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide

C152H194FN19O27S5 — CID 158595557

IUPAC1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(=O)CCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1.CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(O)CCN2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1.CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CCCCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1.CC1CC1CNc1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(=O)CCN2)cc(N(C)S(C)(=O)=O)c1.CC1CC1COc1cc(C(=O)NC(Cc2ccccc2)C(O)C2CCCCN2)cc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C32H39FN4O6S.C32H38N4O6S.C32H40N4O5S.C28H38N4O5S.C28H39N3O5S/c1-20(22-9-11-25(33)12-10-22)35-31(40)23-16-24(18-26(17-23)37(2)44(3,42)43)32(41)36-29(15-21-7-5-4-6-8-21)30(39)28-19-27(38)13-14-34-28;1-21(23-12-8-5-9-13-23)34-31(39)24-17-25(19-26(18-24)36(2)43(3,41)42)32(40)35-29(16-22-10-6-4-7-11-22)30(38)28-20-27(37)14-15-33-28;1-22(24-14-8-5-9-15-24)34-31(38)25-19-26(21-27(20-25)36(2)42(3,40)41)32(39)35-29(18-23-12-6-4-7-13-23)30(37)28-16-10-11-17-33-28;1-18-11-21(18)17-30-22-13-20(14-23(15-22)32(2)38(3,36)37)28(35)31-26(12-19-7-5-4-6-8-19)27(34)25-16-24(33)9-10-29-25;1-19-13-22(19)18-36-24-16-21(15-23(17-24)31(2)37(3,34)35)28(33)30-26(14-20-9-5-4-6-10-20)27(32)25-11-7-8-12-29-25/h4-12,16-18,20,27-30,34,38-39H,13-15,19H2,1-3H3,(H,35,40)(H,36,41);4-13,17-19,21,28-30,33,38H,14-16,20H2,1-3H3,(H,34,39)(H,35,40);4-9,12-15,19-22,28-30,33,37H,10-11,16-18H2,1-3H3,(H,34,38)(H,35,39);4-8,13-15,18,21,25-27,29-30,34H,9-12,16-17H2,1-3H3,(H,31,35);4-6,9-10,15-17,19,22,25-27,29,32H,7-8,11-14,18H2,1-3H3,(H,30,33)
InChIKeyHUZGFZUBDBAEFT-UHFFFAOYSA-N
MW2898.66 g/mol
LogP13.68
Rot. Bonds55

About 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide

1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 158595557) has the molecular formula C152H194FN19O27S5 and a molecular weight of 2898.66 g/mol. Its IUPAC name is 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID158595557
Molecular FormulaC152H194FN19O27S5
Molecular Weight2898.66 g/mol
Exact Mass2896.30
IUPAC Name1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(=O)CCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1.CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(O)CCN2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1.CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CCCCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1.CC1CC1CNc1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(=O)CCN2)cc(N(C)S(C)(=O)=O)c1.CC1CC1COc1cc(C(=O)NC(Cc2ccccc2)C(O)C2CCCCN2)cc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C32H39FN4O6S.C32H38N4O6S.C32H40N4O5S.C28H38N4O5S.C28H39N3O5S/c1-20(22-9-11-25(33)12-10-22)35-31(40)23-16-24(18-26(17-23)37(2)44(3,42)43)32(41)36-29(15-21-7-5-4-6-8-21)30(39)28-19-27(38)13-14-34-28;1-21(23-12-8-5-9-13-23)34-31(39)24-17-25(19-26(18-24)36(2)43(3,41)42)32(40)35-29(16-22-10-6-4-7-11-22)30(38)28-20-27(37)14-15-33-28;1-22(24-14-8-5-9-15-24)34-31(38)25-19-26(21-27(20-25)36(2)42(3,40)41)32(39)35-29(18-23-12-6-4-7-13-23)30(37)28-16-10-11-17-33-28;1-18-11-21(18)17-30-22-13-20(14-23(15-22)32(2)38(3,36)37)28(35)31-26(12-19-7-5-4-6-8-19)27(34)25-16-24(33)9-10-29-25;1-19-13-22(19)18-36-24-16-21(15-23(17-24)31(2)37(3,34)35)28(33)30-26(14-20-9-5-4-6-10-20)27(32)25-11-7-8-12-29-25/h4-12,16-18,20,27-30,34,38-39H,13-15,19H2,1-3H3,(H,35,40)(H,36,41);4-13,17-19,21,28-30,33,38H,14-16,20H2,1-3H3,(H,34,39)(H,35,40);4-9,12-15,19-22,28-30,33,37H,10-11,16-18H2,1-3H3,(H,34,38)(H,35,39);4-8,13-15,18,21,25-27,29-30,34H,9-12,16-17H2,1-3H3,(H,31,35);4-6,9-10,15-17,19,22,25-27,29,32H,7-8,11-14,18H2,1-3H3,(H,30,33)
InChIKeyHUZGFZUBDBAEFT-UHFFFAOYSA-N
XLogP13.68
TPSA656.63 Ų
H-Bond Donors20
H-Bond Acceptors33
Rotatable Bonds55
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002898.66
LogP ≤ 513.68
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1033

Analyze 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide with MolForge

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-[(2R)-4-oxopiperidin-2-yl]-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide
CID 58699994
1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 10326603
N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]benzamide
CID 142896278
3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 10099990
1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(1R,2S)-1-hydroxy-1-[(2R,5S)-5-methylpyrrolidin-2-yl]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 58699979
3-N-[(1R,2S)-1-hydroxy-3-phenyl-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1S)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 46206496
3-N-(1-hydroxy-3-phenyl-1-pyrrolidin-2-ylpropan-2-yl)-5-[methyl(methylsulfinyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 67556399
1-N-[(2R)-2-hydroxy-2-pyrrolidin-2-ylethyl]-5-[methyl(methylsulfonyl)amino]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide;toluene
CID 142896286
3-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1S)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 59569833
1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S,3S)-3-hydroxy-4-[4-(methylcarbamoyl)pyrazol-1-yl]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 72707873
1-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-N-[(2S,3S)-3-hydroxy-4-[4-(1-hydroxycyclohexyl)triazol-1-yl]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 71488075
3-N-[(2S,3R)-3-hydroxy-4-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methylamino]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 68958374

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide (CID 158595557) is 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide is CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(=O)CCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1.CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(O)CCN2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1.CC(NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C2CCCCN2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1.CC1CC1CNc1cc(C(=O)NC(Cc2ccccc2)C(O)C2CC(=O)CCN2)cc(N(C)S(C)(=O)=O)c1.CC1CC1COc1cc(C(=O)NC(Cc2ccccc2)C(O)C2CCCCN2)cc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is HUZGFZUBDBAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN4O6S.C32H38N4O6S.C32H40N4O5S.C28H38N4O5S.C28H39N3O5S/c1-20(22-9-11-25(33)12-10-22)35-31(40)23-16-24(18-26(17-23)37(2)44(3,42)43)32(41)36-29(15-21-7-5-4-6-8-21)30(39)28-19-27(38)13-14-34-28;1-21(23-12-8-5-9-13-23)34-31(39)24-17-25(19-26(18-24)36(2)43(3,41)42)32(40)35-29(16-22-10-6-4-7-11-22)30(38)28-20-27(37)14-15-33-28;1-22(24-14-8-5-9-15-24)34-31(38)25-19-26(21-27(20-25)36(2)42(3,40)41)32(39)35-29(18-23-12-6-4-7-13-23)30(37)28-16-10-11-17-33-28;1-18-11-21(18)17-30-22-13-20(14-23(15-22)32(2)38(3,36)37)28(35)31-26(12-19-7-5-4-6-8-19)27(34)25-16-24(33)9-10-29-25;1-19-13-22(19)18-36-24-16-21(15-23(17-24)31(2)37(3,34)35)28(33)30-26(14-20-9-5-4-6-10-20)27(32)25-11-7-8-12-29-25/h4-12,16-18,20,27-30,34,38-39H,13-15,19H2,1-3H3,(H,35,40)(H,36,41);4-13,17-19,21,28-30,33,38H,14-16,20H2,1-3H3,(H,34,39)(H,35,40);4-9,12-15,19-22,28-30,33,37H,10-11,16-18H2,1-3H3,(H,34,38)(H,35,39);4-8,13-15,18,21,25-27,29-30,34H,9-12,16-17H2,1-3H3,(H,31,35);4-6,9-10,15-17,19,22,25-27,29,32H,7-8,11-14,18H2,1-3H3,(H,30,33).
What are the key properties of 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 2898.66 g/mol, XLogP of 13.68, 55 rotatable bonds, 20 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-fluorophenyl)ethyl]-3-N-[1-hydroxy-1-(4-hydroxypiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methylamino]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-[1-hydroxy-1-(4-oxopiperidin-2-yl)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide;N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide;3-N-(1-hydroxy-3-phenyl-1-piperidin-2-ylpropan-2-yl)-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 158595557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).