2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide

C25H28N2O4S — CID 1372918

IUPAC2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)20-11-13-21(14-12-20)26-25(28)17-27(23-16-19(3)10-15-24(23)31-4)32(29,30)22-8-6-5-7-9-22/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyNGYIDAPWVMHAST-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.96
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1372918) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID1372918
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-18(2)20-11-13-21(14-12-20)26-25(28)17-27(23-16-19(3)10-15-24(23)31-4)32(29,30)22-8-6-5-7-9-22/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyNGYIDAPWVMHAST-UHFFFAOYSA-N
XLogP4.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1308866
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916157
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21371919
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30307214
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891692
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43892934
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 28635265
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 126393608

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide (CID 1372918) is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is NGYIDAPWVMHAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18(2)20-11-13-21(14-12-20)26-25(28)17-27(23-16-19(3)10-15-24(23)31-4)32(29,30)22-8-6-5-7-9-22/h5-16,18H,17H2,1-4H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1372918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).