2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide

C18H22N2O3S — CID 2248872

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)19-18(21)13-20(16-11-9-15(3)10-12-16)24(22,23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeySUXPXZPCSKRBLY-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.71
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide (PubChem CID 2248872) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
PubChem CID2248872
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)19-18(21)13-20(16-11-9-15(3)10-12-16)24(22,23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeySUXPXZPCSKRBLY-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2251303
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
CID 51345236
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 2260812
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 50889911
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2271201
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylethyl)acetamide
CID 3458879

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide (CID 2248872) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide is Cc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide?
The InChIKey is SUXPXZPCSKRBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(2)19-18(21)13-20(16-11-9-15(3)10-12-16)24(22,23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide has a molecular weight of 346.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 2248872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).