N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide

C24H25ClN2O5S — CID 1107812

IUPACN-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-16-8-10-18(11-9-16)27(15-24(28)26-21-7-5-6-20(25)17(21)2)33(29,30)19-12-13-22(31-3)23(14-19)32-4/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyMCQCKKAPLYNBRT-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.81
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide

N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 1107812) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID1107812
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-16-8-10-18(11-9-16)27(15-24(28)26-21-7-5-6-20(25)17(21)2)33(29,30)19-12-13-22(31-3)23(14-19)32-4/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyMCQCKKAPLYNBRT-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-Amino-phenyl)-3-[4-(3,4-dimethoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10226045
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
2-[N-(4-Chloro-2-methylphenyl)benzenesulfonamido]-N-(4-ethoxyphenyl)acetamide
CID 1260663
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
2-[Benzenesulfonyl-(4-methoxy-phenyl)-amino]-N-(3-chloro-2-methyl-phenyl)-acetamide
CID 1134581
Cambridge id 5575070
CID 1134627
2-(N-Benzyl3,4-dimethoxybenzenesulfonamido)-N-(5-chloro-2-methylphenyl)acetamide
CID 1078982
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 1109434
N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 1249201
N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methyl-N~1~-(4-methylphenyl)glycinamide
CID 1316104
N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(3-chloro-4-methylphenyl)4-methylbenzenesulfonamido]acetamide
CID 2278979
2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-diethylacetamide
CID 3119056

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 1107812) is N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is MCQCKKAPLYNBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-16-8-10-18(11-9-16)27(15-24(28)26-21-7-5-6-20(25)17(21)2)33(29,30)19-12-13-22(31-3)23(14-19)32-4/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)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 N-(3-chloro-2-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 1107812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).