2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide

C23H28ClN3O4S — CID 1322673

IUPAC2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-16-12-13-18(14-20(16)24)27(32(2,30)31)15-22(28)26-21-11-7-6-10-19(21)23(29)25-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPVGHPLBUTZDMSQ-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.12
Rot. Bonds7

About 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide

2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 1322673) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID1322673
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-16-12-13-18(14-20(16)24)27(32(2,30)31)15-22(28)26-21-11-7-6-10-19(21)23(29)25-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPVGHPLBUTZDMSQ-UHFFFAOYSA-N
XLogP4.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide
CID 1311166
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 2929125
N-benzyl-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 1302162
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032749
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035099
2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126415485
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035456
(2R)-2-[benzyl-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100524796
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide (CID 1322673) is 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide is Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is PVGHPLBUTZDMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-16-12-13-18(14-20(16)24)27(32(2,30)31)15-22(28)26-21-11-7-6-10-19(21)23(29)25-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9,15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide?
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 478.01 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 1322673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).