2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide

C24H26N2O3S — CID 2111548

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-18(2)21-14-8-9-15-22(21)25-24(27)17-26(23-16-10-7-11-19(23)3)30(28,29)20-12-5-4-6-13-20/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyPRRALKVOYXYARJ-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.95
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 2111548) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID2111548
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-18(2)21-14-8-9-15-22(21)25-24(27)17-26(23-16-10-7-11-19(23)3)30(28,29)20-12-5-4-6-13-20/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyPRRALKVOYXYARJ-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210636
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372817
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126136076
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210589
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 126132339
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(2-methylphenyl)acetamide
CID 4052421
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113167364
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217702

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide (CID 2111548) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide is Cc1ccccc1N(CC(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is PRRALKVOYXYARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18(2)21-14-8-9-15-22(21)25-24(27)17-26(23-16-10-7-11-19(23)3)30(28,29)20-12-5-4-6-13-20/h4-16,18H,17H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2111548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).