2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide

C25H22N2O4S — CID 1372425

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H22N2O4S/c1-31-24-14-8-7-13-23(24)27(32(29,30)22-11-3-2-4-12-22)18-25(28)26-21-16-15-19-9-5-6-10-20(19)17-21/h2-17H,18H2,1H3,(H,26,28)
InChIKeyUUSJBYUZCSUZIH-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.68
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide (PubChem CID 1372425) has the molecular formula C25H22N2O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
PubChem CID1372425
Molecular FormulaC25H22N2O4S
Molecular Weight446.53 g/mol
Exact Mass446.13
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H22N2O4S/c1-31-24-14-8-7-13-23(24)27(32(29,30)22-11-3-2-4-12-22)18-25(28)26-21-16-15-19-9-5-6-10-20(19)17-21/h2-17H,18H2,1H3,(H,26,28)
InChIKeyUUSJBYUZCSUZIH-UHFFFAOYSA-N
XLogP4.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-naphthalen-2-ylacetamide
CID 1326815
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(3,4-difluorophenyl)acetamide
CID 3360901
N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30171565
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
CID 51345227
N-(3,5-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 23911004
N-(3-chlorophenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126031125
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-naphthalen-2-ylacetamide
CID 1103810
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2890006
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1278367
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 1357139

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide (CID 1372425) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide is COc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide?
The InChIKey is UUSJBYUZCSUZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S/c1-31-24-14-8-7-13-23(24)27(32(29,30)22-11-3-2-4-12-22)18-25(28)26-21-16-15-19-9-5-6-10-20(19)17-21/h2-17H,18H2,1H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 1372425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).