2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide

C22H21BrN2O3S — CID 30169534

IUPAC2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21BrN2O3S/c1-2-17-9-6-7-14-21(17)24-22(26)16-25(19-11-8-10-18(23)15-19)29(27,28)20-12-4-3-5-13-20/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyQUABRCAYEJFTQT-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.85
Rot. Bonds7

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

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide (PubChem CID 30169534) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
PubChem CID30169534
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21BrN2O3S/c1-2-17-9-6-7-14-21(17)24-22(26)16-25(19-11-8-10-18(23)15-19)29(27,28)20-12-4-3-5-13-20/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyQUABRCAYEJFTQT-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-ethylphenyl)acetamide
CID 30169297
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294
2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 126032018
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide
CID 126123586
2-[[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 126319908
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-ethoxyphenyl)acetamide
CID 1361638
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
CID 43891612
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide
CID 21372628
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30304171
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-ethylphenyl)acetamide
CID 1095217
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide (CID 30169534) is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide?
The InChIKey is QUABRCAYEJFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c1-2-17-9-6-7-14-21(17)24-22(26)16-25(19-11-8-10-18(23)15-19)29(27,28)20-12-4-3-5-13-20/h3-15H,2,16H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide has a molecular weight of 473.39 g/mol, XLogP of 4.85, 7 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-(2-ethylphenyl)acetamide is sourced from PubChem (CID 30169534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).