2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide

C24H26N2O6S2 — CID 126390110

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H26N2O6S2/c1-30-18-11-9-17(10-12-18)26(16-24(27)25-20-7-5-6-8-23(20)33-4)34(28,29)19-13-14-21(31-2)22(15-19)32-3/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyAKYMVVBLNOCTIW-UHFFFAOYSA-N
MW502.61 g/mol
LogP4.27
Rot. Bonds10

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 126390110) has the molecular formula C24H26N2O6S2 and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID126390110
Molecular FormulaC24H26N2O6S2
Molecular Weight502.61 g/mol
Exact Mass502.12
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H26N2O6S2/c1-30-18-11-9-17(10-12-18)26(16-24(27)25-20-7-5-6-8-23(20)33-4)34(28,29)19-13-14-21(31-2)22(15-19)32-3/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyAKYMVVBLNOCTIW-UHFFFAOYSA-N
XLogP4.27
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 126274060
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 1295912
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083
N-(2-bromophenyl)-2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1241981
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 1298122
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 126127532
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 1099906
ethyl 2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]benzoate
CID 1314434
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680076
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280196
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901959
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 27042991

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide (CID 126390110) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is AKYMVVBLNOCTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S2/c1-30-18-11-9-17(10-12-18)26(16-24(27)25-20-7-5-6-8-23(20)33-4)34(28,29)19-13-14-21(31-2)22(15-19)32-3/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 502.61 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 126390110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).