2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide

C19H23ClN2O3S — CID 133240413

IUPAC2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-14(2)15(3)21-19(23)13-22(18-12-8-7-11-17(18)20)26(24,25)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)
InChIKeyLYVGDHUHZOUGQD-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.70
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 133240413) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID133240413
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-14(2)15(3)21-19(23)13-22(18-12-8-7-11-17(18)20)26(24,25)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,23)
InChIKeyLYVGDHUHZOUGQD-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564325
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
CID 846509
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133244931
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92646148
N-[(2R)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125074087
N-[(2S)-3-methylbutan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 100562663
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7448271
2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide
CID 42977229
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30306397
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 1317743
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1317744
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide (CID 133240413) is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is LYVGDHUHZOUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14(2)15(3)21-19(23)13-22(18-12-8-7-11-17(18)20)26(24,25)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide?
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.70, 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-chloroanilino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 133240413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).