N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide

C23H22ClN3O4S — CID 983021

IUPACN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22ClN3O4S/c1-16-14-18(24)8-13-22(16)27(32(30,31)21-6-4-3-5-7-21)15-23(29)26-20-11-9-19(10-12-20)25-17(2)28/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCJGZSPGNCCKJGP-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.44
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide

N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide (PubChem CID 983021) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
PubChem CID983021
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22ClN3O4S/c1-16-14-18(24)8-13-22(16)27(32(30,31)21-6-4-3-5-7-21)15-23(29)26-20-11-9-19(10-12-20)25-17(2)28/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyCJGZSPGNCCKJGP-UHFFFAOYSA-N
XLogP4.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-methoxyphenyl)acetamide
CID 1361538
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879946
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1308866
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 1338919
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 51344789
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963
N-(4-bromophenyl)-2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172400
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide (CID 983021) is N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide?
The InChIKey is CJGZSPGNCCKJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-16-14-18(24)8-13-22(16)27(32(30,31)21-6-4-3-5-7-21)15-23(29)26-20-11-9-19(10-12-20)25-17(2)28/h3-14H,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide?
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide has a molecular weight of 471.97 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide is sourced from PubChem (CID 983021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).