2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide

C23H23ClN2O3S — CID 126129720

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-2-18-12-14-20(15-13-18)26(30(28,29)21-9-4-3-5-10-21)17-23(27)25-16-19-8-6-7-11-22(19)24/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyGWGQLFONKSILEJ-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.41
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 126129720) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID126129720
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-2-18-12-14-20(15-13-18)26(30(28,29)21-9-4-3-5-10-21)17-23(27)25-16-19-8-6-7-11-22(19)24/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyGWGQLFONKSILEJ-UHFFFAOYSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(2-chlorophenyl)methyl]acetamide
CID 126126356
N-[(2-chlorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53279173
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1318042
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
(2R)-2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 125071050
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546
2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132684250
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1338503
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-benzylsulfanylpropyl)acetamide
CID 30229569
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-cyclopropylacetamide
CID 126034868
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 126033735

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide (CID 126129720) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide is CCc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is GWGQLFONKSILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-2-18-12-14-20(15-13-18)26(30(28,29)21-9-4-3-5-10-21)17-23(27)25-16-19-8-6-7-11-22(19)24/h3-15H,2,16-17H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 442.97 g/mol, XLogP of 4.41, 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-ethylanilino]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 126129720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).