2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide

C23H23ClN2O4S — CID 1320251

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-3-17-9-12-19(13-10-17)26(31(28,29)20-7-5-4-6-8-20)16-23(27)25-18-11-14-22(30-2)21(24)15-18/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyUXBMESPDFCWZHL-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.74
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 1320251) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID1320251
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-3-17-9-12-19(13-10-17)26(31(28,29)20-7-5-4-6-8-20)16-23(27)25-18-11-14-22(30-2)21(24)15-18/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyUXBMESPDFCWZHL-UHFFFAOYSA-N
XLogP4.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 3635037
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-ethoxyphenyl)acetamide
CID 1336528
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30170290
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 126033857
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 1142878
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 51344163
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-ethylphenyl)acetamide
CID 53281300
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1206346
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1076718
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
CID 1311149
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 1320251) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide is CCc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is UXBMESPDFCWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-3-17-9-12-19(13-10-17)26(31(28,29)20-7-5-4-6-8-20)16-23(27)25-18-11-14-22(30-2)21(24)15-18/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 1320251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).