2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide

C23H24N2O3S2 — CID 126035444

IUPAC2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O3S2/c1-3-18-10-7-8-15-22(18)25(30(27,28)21-13-5-4-6-14-21)17-23(26)24-19-11-9-12-20(16-19)29-2/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyWWQWYUCSTFKRIA-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.80
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide

2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 126035444) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID126035444
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O3S2/c1-3-18-10-7-8-15-22(18)25(30(27,28)21-13-5-4-6-14-21)17-23(26)24-19-11-9-12-20(16-19)29-2/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyWWQWYUCSTFKRIA-UHFFFAOYSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126032037
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126034145
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1309384
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2174929
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2928712
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126030814
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 998364
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(4-ethoxyphenyl)acetamide
CID 2273103
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1339520
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(2-methylphenyl)acetamide
CID 4052421
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2,6-diethylphenyl)acetamide
CID 126120612
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30170737

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide (CID 126035444) is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide is CCc1ccccc1N(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is WWQWYUCSTFKRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-3-18-10-7-8-15-22(18)25(30(27,28)21-13-5-4-6-14-21)17-23(26)24-19-11-9-12-20(16-19)29-2/h4-16H,3,17H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 440.59 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 126035444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).