N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide

C24H25ClN2O4S — CID 126395247

IUPACN-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-16-5-10-20(11-6-16)27(15-24(28)26-21-14-19(25)9-8-18(21)3)32(29,30)23-13-17(2)7-12-22(23)31-4/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyVDOLZFCUHPGREW-UHFFFAOYSA-N
MW472.99 g/mol
LogP5.11
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide

N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 126395247) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID126395247
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-16-5-10-20(11-6-16)27(15-24(28)26-21-14-19(25)9-8-18(21)3)32(29,30)23-13-17(2)7-12-22(23)31-4/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyVDOLZFCUHPGREW-UHFFFAOYSA-N
XLogP5.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 28547418
N-(5-chloro-2-methoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 22193652
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 3910967
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
4-[[2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301795
N-(5-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1006755

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide (CID 126395247) is N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1C)c1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is VDOLZFCUHPGREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-16-5-10-20(11-6-16)27(15-24(28)26-21-14-19(25)9-8-18(21)3)32(29,30)23-13-17(2)7-12-22(23)31-4/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 472.99 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 126395247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).