2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide

C25H27N3O5S — CID 43891601

IUPAC2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-18(20-7-5-4-6-8-20)26-25(30)17-28(22-11-13-23(33-3)14-12-22)34(31,32)24-15-9-21(10-16-24)27-19(2)29/h4-16,18H,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyDTUSIHUHJSWKHX-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.73
Rot. Bonds9

About 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide

2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide (PubChem CID 43891601) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide
PubChem CID43891601
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C25H27N3O5S/c1-18(20-7-5-4-6-8-20)26-25(30)17-28(22-11-13-23(33-3)14-12-22)34(31,32)24-15-9-21(10-16-24)27-19(2)29/h4-16,18H,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyDTUSIHUHJSWKHX-UHFFFAOYSA-N
XLogP3.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30377521
2-[[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126154147
2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 94855065
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257028
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43901953
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92674265
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N,N-dibenzylacetamide
CID 2889288
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892474

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide (CID 43891601) is 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide is COc1ccc(N(CC(=O)NC(C)c2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is DTUSIHUHJSWKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18(20-7-5-4-6-8-20)26-25(30)17-28(22-11-13-23(33-3)14-12-22)34(31,32)24-15-9-21(10-16-24)27-19(2)29/h4-16,18H,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide?
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 481.57 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43891601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).