3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide

C23H21ClN2O4S — CID 4549288

IUPAC3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O4S/c1-15-3-5-17(6-4-15)14-25-23(28)18-7-12-22(21(13-18)26-16(2)27)31(29,30)20-10-8-19(24)9-11-20/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyHONOSJAKZVLEHA-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.37
Rot. Bonds6

About 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide

3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 4549288) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID4549288
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC Name3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O4S/c1-15-3-5-17(6-4-15)14-25-23(28)18-7-12-22(21(13-18)26-16(2)27)31(29,30)20-10-8-19(24)9-11-20/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyHONOSJAKZVLEHA-UHFFFAOYSA-N
XLogP4.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-(2-((dimethylamino)methyl)phenylthio)phenyl)-4-fluorobenzamide
CID 44580186
6-(3-chloro-6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)-N-hydroxyhexanamide
CID 11848286
10-ethyl-N-(4-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
CID 16007816
5-ethyl-6,11-dioxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 20861041
(R)-3-amino-4-chloro-N-(2-(4-(4-fluoro-2-(methylsulfonyl)phenyl)piperazin-1-yl)-2-oxo-1-phenylethyl)benzamide
CID 52944468
4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]-N-phenylbenzamide
CID 54580714
N-benzyl-5-ethyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383399
N-[(4-chlorophenyl)methyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383411
N-[(3-chlorophenyl)methyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383413
N-benzyl-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383416
5-ethyl-N-[(4-methylsulfonylphenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383418
(11S)-N-[(4-chlorophenyl)methyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383420

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide (CID 4549288) is 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide is CC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is HONOSJAKZVLEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-15-3-5-17(6-4-15)14-25-23(28)18-7-12-22(21(13-18)26-16(2)27)31(29,30)20-10-8-19(24)9-11-20/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide?
3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 456.95 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 4549288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).