2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide

C24H25BrN2O3S — CID 21372628

IUPAC2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25BrN2O3S/c1-2-3-8-19-13-15-21(16-14-19)26-24(28)18-27(22-10-7-9-20(25)17-22)31(29,30)23-11-5-4-6-12-23/h4-7,9-17H,2-3,8,18H2,1H3,(H,26,28)
InChIKeyISCDHKKXFQWOKC-UHFFFAOYSA-N
MW501.45 g/mol
LogP5.63
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide (PubChem CID 21372628) has the molecular formula C24H25BrN2O3S and a molecular weight of 501.45 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide
PubChem CID21372628
Molecular FormulaC24H25BrN2O3S
Molecular Weight501.45 g/mol
Exact Mass500.08
IUPAC Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25BrN2O3S/c1-2-3-8-19-13-15-21(16-14-19)26-24(28)18-27(22-10-7-9-20(25)17-22)31(29,30)23-11-5-4-6-12-23/h4-7,9-17H,2-3,8,18H2,1H3,(H,26,28)
InChIKeyISCDHKKXFQWOKC-UHFFFAOYSA-N
XLogP5.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
CID 43891612
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-ethoxyphenyl)acetamide
CID 1361638
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
CID 43891649
N-(4-butylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30270668
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881610
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
CID 30169534
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide
CID 21372897
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51343347
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43877099
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171324
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide (CID 21372628) is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide?
The InChIKey is ISCDHKKXFQWOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O3S/c1-2-3-8-19-13-15-21(16-14-19)26-24(28)18-27(22-10-7-9-20(25)17-22)31(29,30)23-11-5-4-6-12-23/h4-7,9-17H,2-3,8,18H2,1H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide has a molecular weight of 501.45 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 21372628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).