2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide

C20H25ClN2O3S — CID 21372651

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25ClN2O3S/c1-15(2)11-12-22-20(24)14-23(19-10-9-17(21)13-16(19)3)27(25,26)18-7-5-4-6-8-18/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyIQBDUNADYJFDBD-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.01
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide (PubChem CID 21372651) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
PubChem CID21372651
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25ClN2O3S/c1-15(2)11-12-22-20(24)14-23(19-10-9-17(21)13-16(19)3)27(25,26)18-7-5-4-6-8-18/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyIQBDUNADYJFDBD-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 30206529
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30305010
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutyl)acetamide
CID 21372573
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-ethylhexyl)acetamide
CID 133244646
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30206601
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1103836
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92672309
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43892979
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide (CID 21372651) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide is Cc1cc(Cl)ccc1N(CC(=O)NCCC(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide?
The InChIKey is IQBDUNADYJFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-15(2)11-12-22-20(24)14-23(19-10-9-17(21)13-16(19)3)27(25,26)18-7-5-4-6-8-18/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide has a molecular weight of 408.95 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 21372651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).