2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide

C25H25N3O6S — CID 1105743

IUPAC2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C25H25N3O6S/c1-17(29)19-5-4-6-21(15-19)27-25(31)16-28(22-9-11-23(34-3)12-10-22)35(32,33)24-13-7-20(8-14-24)26-18(2)30/h4-15H,16H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyGDSSEIDWDSWTFM-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.69
Rot. Bonds9

About 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide

2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide (PubChem CID 1105743) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide
PubChem CID1105743
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC Name2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C25H25N3O6S/c1-17(29)19-5-4-6-21(15-19)27-25(31)16-28(22-9-11-23(34-3)12-10-22)35(32,33)24-13-7-20(8-14-24)26-18(2)30/h4-15H,16H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyGDSSEIDWDSWTFM-UHFFFAOYSA-N
XLogP3.69
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-2-phenylacetamide
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Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993214
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-phenylpropanamide
CID 23648316
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide (CID 1105743) is 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide?
The InChIKey is GDSSEIDWDSWTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-17(29)19-5-4-6-21(15-19)27-25(31)16-28(22-9-11-23(34-3)12-10-22)35(32,33)24-13-7-20(8-14-24)26-18(2)30/h4-15H,16H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide?
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide has a molecular weight of 495.56 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 1105743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).