3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

C103H91Cl4F3N14O16S4 — CID 160879118

IUPAC3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)CN1CCCC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)c1ccccc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O
InChIInChI=1S/C28H22ClF3N4O4S.C27H22ClN3O4S.C26H27ClN4O4S.C22H20ClN3O4S/c1-16-20(9-11-25(34-16)28(30,31)32)27(38)36-24-13-17(6-7-18(24)15-41(2,39)40)26(37)35-19-8-10-22(29)21(14-19)23-5-3-4-12-33-23;1-36(34,35)17-20-11-10-19(15-25(20)31-26(32)18-7-3-2-4-8-18)27(33)30-21-12-13-23(28)22(16-21)24-9-5-6-14-29-24;1-36(34,35)17-19-8-7-18(14-24(19)30-25(32)16-31-12-4-5-13-31)26(33)29-20-9-10-22(27)21(15-20)23-6-2-3-11-28-23;1-14(27)25-21-11-15(6-7-16(21)13-31(2,29)30)22(28)26-17-8-9-19(23)18(12-17)20-5-3-4-10-24-20/h3-14H,15H2,1-2H3,(H,35,37)(H,36,38);2-16H,17H2,1H3,(H,30,33)(H,31,32);2-3,6-11,14-15H,4-5,12-13,16-17H2,1H3,(H,29,33)(H,30,32);3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeySMUMPLOEPYPQET-UHFFFAOYSA-N
MW2108.02 g/mol
LogP20.02
Rot. Bonds28

About 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (PubChem CID 160879118) has the molecular formula C103H91Cl4F3N14O16S4 and a molecular weight of 2108.02 g/mol. Its IUPAC name is 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
PubChem CID160879118
Molecular FormulaC103H91Cl4F3N14O16S4
Molecular Weight2108.02 g/mol
Exact Mass2104.43
IUPAC Name3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)CN1CCCC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)c1ccccc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O
InChIInChI=1S/C28H22ClF3N4O4S.C27H22ClN3O4S.C26H27ClN4O4S.C22H20ClN3O4S/c1-16-20(9-11-25(34-16)28(30,31)32)27(38)36-24-13-17(6-7-18(24)15-41(2,39)40)26(37)35-19-8-10-22(29)21(14-19)23-5-3-4-12-33-23;1-36(34,35)17-20-11-10-19(15-25(20)31-26(32)18-7-3-2-4-8-18)27(33)30-21-12-13-23(28)22(16-21)24-9-5-6-14-29-24;1-36(34,35)17-19-8-7-18(14-24(19)30-25(32)16-31-12-4-5-13-31)26(33)29-20-9-10-22(27)21(15-20)23-6-2-3-11-28-23;1-14(27)25-21-11-15(6-7-16(21)13-31(2,29)30)22(28)26-17-8-9-19(23)18(12-17)20-5-3-4-10-24-20/h3-14H,15H2,1-2H3,(H,35,37)(H,36,38);2-16H,17H2,1H3,(H,30,33)(H,31,32);2-3,6-11,14-15H,4-5,12-13,16-17H2,1H3,(H,29,33)(H,30,32);3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeySMUMPLOEPYPQET-UHFFFAOYSA-N
XLogP20.02
TPSA437.05 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002108.02
LogP ≤ 520.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-(4-chloro-3-(pyridin-2-yl)phenylcarbamoyl)-2-(methylsulfonylmethyl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 58614781
N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 123224550
N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134225824
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157213887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157282964
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157391405
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158294820
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 158303328
3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 158893476
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 159088662
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 159604811
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 159665512

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The IUPAC name of 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (CID 160879118) is 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is CC(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)CN1CCCC1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1NC(=O)c1ccccc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)ccc1CS(C)(=O)=O.
What is the InChIKey of 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The InChIKey is SMUMPLOEPYPQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF3N4O4S.C27H22ClN3O4S.C26H27ClN4O4S.C22H20ClN3O4S/c1-16-20(9-11-25(34-16)28(30,31)32)27(38)36-24-13-17(6-7-18(24)15-41(2,39)40)26(37)35-19-8-10-22(29)21(14-19)23-5-3-4-12-33-23;1-36(34,35)17-20-11-10-19(15-25(20)31-26(32)18-7-3-2-4-8-18)27(33)30-21-12-13-23(28)22(16-21)24-9-5-6-14-29-24;1-36(34,35)17-19-8-7-18(14-24(19)30-25(32)16-31-12-4-5-13-31)26(33)29-20-9-10-22(27)21(15-20)23-6-2-3-11-28-23;1-14(27)25-21-11-15(6-7-16(21)13-31(2,29)30)22(28)26-17-8-9-19(23)18(12-17)20-5-3-4-10-24-20/h3-14H,15H2,1-2H3,(H,35,37)(H,36,38);2-16H,17H2,1H3,(H,30,33)(H,31,32);2-3,6-11,14-15H,4-5,12-13,16-17H2,1H3,(H,29,33)(H,30,32);3-12H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide has a molecular weight of 2108.02 g/mol, XLogP of 20.02, 28 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;3-benzamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[5-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-(methylsulfonylmethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 160879118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).