2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate

C25H26N2O6S — CID 4946640

IUPAC2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O6S/c1-32-22-11-7-21(8-12-22)27-34(30,31)23-13-9-20(10-14-23)26-24(28)15-16-25(29)33-18-17-19-5-3-2-4-6-19/h2-14,27H,15-18H2,1H3,(H,26,28)
InChIKeyNHQKBKHNLUMEQO-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.00
Rot. Bonds11

About 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate

2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate (PubChem CID 4946640) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate
PubChem CID4946640
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O6S/c1-32-22-11-7-21(8-12-22)27-34(30,31)23-13-9-20(10-14-23)26-24(28)15-16-25(29)33-18-17-19-5-3-2-4-6-19/h2-14,27H,15-18H2,1H3,(H,26,28)
InChIKeyNHQKBKHNLUMEQO-UHFFFAOYSA-N
XLogP4.00
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylpropyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 4934277
2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate
CID 54782879
3-phenylpropyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 4934759
2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate
CID 4946832
2-phenylethyl 4-(4-hexoxyanilino)-4-oxobutanoate
CID 4939403
2-methoxyethyl 4-[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-4-oxobutanoate
CID 17339028
2-phenylethyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate
CID 4947177
2-phenylethyl 4-(4-nitroanilino)-4-oxobutanoate
CID 4946747
3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4934226
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 92673900

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate?
The IUPAC name of 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate (CID 4946640) is 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate.
What is the SMILES notation for 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate?
The canonical SMILES for 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)OCCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate?
The InChIKey is NHQKBKHNLUMEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-32-22-11-7-21(8-12-22)27-34(30,31)23-13-9-20(10-14-23)26-24(28)15-16-25(29)33-18-17-19-5-3-2-4-6-19/h2-14,27H,15-18H2,1H3,(H,26,28).
What are the key properties of 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate?
2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate has a molecular weight of 482.56 g/mol, XLogP of 4.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate is sourced from PubChem (CID 4946640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).