2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

C23H23ClN2O4S2 — CID 126034594

IUPAC2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23ClN2O4S2/c1-16-7-10-20(11-8-16)32(28,29)26(21-13-17(24)9-12-22(21)30-2)15-23(27)25-18-5-4-6-19(14-18)31-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyKQPMOYUTOMQZRL-UHFFFAOYSA-N
MW491.03 g/mol
LogP5.21
Rot. Bonds8

About 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 126034594) has the molecular formula C23H23ClN2O4S2 and a molecular weight of 491.03 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID126034594
Molecular FormulaC23H23ClN2O4S2
Molecular Weight491.03 g/mol
Exact Mass490.08
IUPAC Name2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23ClN2O4S2/c1-16-7-10-20(11-8-16)32(28,29)26(21-13-17(24)9-12-22(21)30-2)15-23(27)25-18-5-4-6-19(14-18)31-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyKQPMOYUTOMQZRL-UHFFFAOYSA-N
XLogP5.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.03
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126032506
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126032037
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126030814
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891692
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1309384
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3891915
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 43899720
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 126033701
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21371919
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882064

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (CID 126034594) is 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is KQPMOYUTOMQZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S2/c1-16-7-10-20(11-8-16)32(28,29)26(21-13-17(24)9-12-22(21)30-2)15-23(27)25-18-5-4-6-19(14-18)31-3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 491.03 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 126034594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).