[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate

C24H23N3O6S — CID 55313269

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3O6S/c1-17(28)26-20-10-12-21(13-11-20)27-23(29)16-33-24(30)19-8-5-9-22(14-19)34(31,32)25-15-18-6-3-2-4-7-18/h2-14,25H,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyQDHXRKCTOGVEFY-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.92
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate

[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate (PubChem CID 55313269) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
PubChem CID55313269
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3O6S/c1-17(28)26-20-10-12-21(13-11-20)27-23(29)16-33-24(30)19-8-5-9-22(14-19)34(31,32)25-15-18-6-3-2-4-7-18/h2-14,25H,15-16H2,1H3,(H,26,28)(H,27,29)
InChIKeyQDHXRKCTOGVEFY-UHFFFAOYSA-N
XLogP2.92
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 2388022
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2382502
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 29141441
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520931
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2096209
[2-(4-methylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25047077
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 2116682
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25038980
[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 2390317
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate (CID 55313269) is [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The InChIKey is QDHXRKCTOGVEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-17(28)26-20-10-12-21(13-11-20)27-23(29)16-33-24(30)19-8-5-9-22(14-19)34(31,32)25-15-18-6-3-2-4-7-18/h2-14,25H,15-16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate has a molecular weight of 481.53 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 55313269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).