2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide

C24H25ClN2O6S2 — CID 126032506

IUPAC2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(SC)c2)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C24H25ClN2O6S2/c1-31-21-10-8-16(25)12-20(21)27(15-24(28)26-17-6-5-7-18(13-17)34-4)35(29,30)19-9-11-22(32-2)23(14-19)33-3/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyBFHJCXMGAFTZSG-UHFFFAOYSA-N
MW537.06 g/mol
LogP4.92
Rot. Bonds10

About 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide

2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 126032506) has the molecular formula C24H25ClN2O6S2 and a molecular weight of 537.06 g/mol. Its IUPAC name is 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID126032506
Molecular FormulaC24H25ClN2O6S2
Molecular Weight537.06 g/mol
Exact Mass536.08
IUPAC Name2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(SC)c2)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C24H25ClN2O6S2/c1-31-21-10-8-16(25)12-20(21)27(15-24(28)26-17-6-5-7-18(13-17)34-4)35(29,30)19-9-11-22(32-2)23(14-19)33-3/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyBFHJCXMGAFTZSG-UHFFFAOYSA-N
XLogP4.92
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.06
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126034594
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 43899720
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-pyridin-3-ylacetamide
CID 1000621
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43880423
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 43891744
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891741
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2174929
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126032037
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51344853
2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 51345480
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 126033701

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide (CID 126032506) is 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(SC)c2)c2cc(Cl)ccc2OC)cc1OC.
What is the InChIKey of 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is BFHJCXMGAFTZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O6S2/c1-31-21-10-8-16(25)12-20(21)27(15-24(28)26-17-6-5-7-18(13-17)34-4)35(29,30)19-9-11-22(32-2)23(14-19)33-3/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide?
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 537.06 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 126032506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).