2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide

C24H25ClN2O5S — CID 30172751

IUPAC2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H25ClN2O5S/c1-16-8-11-19(12-9-16)33(29,30)27(22-7-5-6-20(25)17(22)2)15-24(28)26-21-13-10-18(31-3)14-23(21)32-4/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyLVVMKXPQRYTTMS-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.81
Rot. Bonds8

About 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 30172751) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID30172751
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C24H25ClN2O5S/c1-16-8-11-19(12-9-16)33(29,30)27(22-7-5-6-20(25)17(22)2)15-24(28)26-21-13-10-18(31-3)14-23(21)32-4/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyLVVMKXPQRYTTMS-UHFFFAOYSA-N
XLogP4.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102420
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 29284468
N-(2,5-dimethoxyphenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1293361
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280526
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880730
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53279465
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232287
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126322737
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30172682
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3764513
N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1363111
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210589

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide (CID 30172751) is 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is LVVMKXPQRYTTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-16-8-11-19(12-9-16)33(29,30)27(22-7-5-6-20(25)17(22)2)15-24(28)26-21-13-10-18(31-3)14-23(21)32-4/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide?
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 488.99 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 30172751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).