[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate

C25H24N2O7S — CID 42966975

IUPAC[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)OC(C)C(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O7S/c1-16(28)18-4-8-20(9-5-18)26-24(29)17(2)34-25(30)19-6-14-23(15-7-19)35(31,32)27-21-10-12-22(33-3)13-11-21/h4-15,17,27H,1-3H3,(H,26,29)
InChIKeyCQKVLDHCKNSXQE-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.88
Rot. Bonds9

About [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate

[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 42966975) has the molecular formula C25H24N2O7S and a molecular weight of 496.54 g/mol. Its IUPAC name is [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID42966975
Molecular FormulaC25H24N2O7S
Molecular Weight496.54 g/mol
Exact Mass496.13
IUPAC Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)OC(C)C(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H24N2O7S/c1-16(28)18-4-8-20(9-5-18)26-24(29)17(2)34-25(30)19-6-14-23(15-7-19)35(31,32)27-21-10-12-22(33-3)13-11-21/h4-15,17,27H,1-3H3,(H,26,29)
InChIKeyCQKVLDHCKNSXQE-UHFFFAOYSA-N
XLogP3.88
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[1-(4-methylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42977439
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 55417116
2-(4-acetylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638155
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 43014117
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 2505187
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoate
CID 2357635

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate (CID 42966975) is [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(NS(=O)(=O)c2ccc(C(=O)OC(C)C(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is CQKVLDHCKNSXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7S/c1-16(28)18-4-8-20(9-5-18)26-24(29)17(2)34-25(30)19-6-14-23(15-7-19)35(31,32)27-21-10-12-22(33-3)13-11-21/h4-15,17,27H,1-3H3,(H,26,29).
What are the key properties of [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate?
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 496.54 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 42966975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).