2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide

C23H24N2O5S2 — CID 2174929

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H24N2O5S2/c1-29-21-13-12-18(15-22(21)30-2)25(32(27,28)20-10-5-4-6-11-20)16-23(26)24-17-8-7-9-19(14-17)31-3/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyCLOFAZVTFFCFFU-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.26
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2174929) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2174929
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H24N2O5S2/c1-29-21-13-12-18(15-22(21)30-2)25(32(27,28)20-10-5-4-6-11-20)16-23(26)24-17-8-7-9-19(14-17)31-3/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyCLOFAZVTFFCFFU-UHFFFAOYSA-N
XLogP4.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 43899720
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126034145
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2928712
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 126273365
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126032506
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 1099906
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1099952
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126035444
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1206346
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126034594
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 126274060

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide (CID 2174929) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is CLOFAZVTFFCFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-29-21-13-12-18(15-22(21)30-2)25(32(27,28)20-10-5-4-6-11-20)16-23(26)24-17-8-7-9-19(14-17)31-3/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2174929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).