N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H23ClN2O3S — CID 1303550

IUPACN-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(C)c2C)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-16-11-13-19(14-12-16)30(28,29)26(22-10-6-7-17(2)18(22)3)15-23(27)25-21-9-5-4-8-20(21)24/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyMEFJLJKBWURCCZ-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.10
Rot. Bonds6

About N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1303550) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1303550
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC NameN-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(C)c2C)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-16-11-13-19(14-12-16)30(28,29)26(22-10-6-7-17(2)18(22)3)15-23(27)25-21-9-5-4-8-20(21)24/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyMEFJLJKBWURCCZ-UHFFFAOYSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210589
3-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzamide
CID 53280459
ethyl 3-chloro-4-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 92647242
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126118965
2-[[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 21371690
2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126031687
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372817
N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30229871
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897299

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1303550) is N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(C)c2C)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is MEFJLJKBWURCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-16-11-13-19(14-12-16)30(28,29)26(22-10-6-7-17(2)18(22)3)15-23(27)25-21-9-5-4-8-20(21)24/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 442.97 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1303550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).