4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid

C23H24N2O4S — CID 99979352

IUPAC4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H24N2O4S/c26-23(27)20-11-12-21(24-15-13-18-7-3-1-4-8-18)22(17-20)30(28,29)25-16-14-19-9-5-2-6-10-19/h1-12,17,24-25H,13-16H2,(H,26,27)
InChIKeyZXOYEYSKESIDSY-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.56
Rot. Bonds10

About 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid

4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid (PubChem CID 99979352) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
PubChem CID99979352
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H24N2O4S/c26-23(27)20-11-12-21(24-15-13-18-7-3-1-4-8-18)22(17-20)30(28,29)25-16-14-19-9-5-2-6-10-19/h1-12,17,24-25H,13-16H2,(H,26,27)
InChIKeyZXOYEYSKESIDSY-UHFFFAOYSA-N
XLogP3.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid 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

4-(2-phenylethylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977513
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
CID 99979327
3-(benzylsulfamoyl)-4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99979035
3-(cycloheptylsulfamoyl)-4-(2-phenylethylamino)benzoic acid
CID 99978450
4-[2-(4-methoxyphenyl)ethylamino]-3-(pentylsulfamoyl)benzoic acid
CID 99980531
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-(methylamino)benzoic acid
CID 99988535
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-[[(1R)-1-phenylethyl]amino]benzoic acid
CID 99979450
3-(tert-butylsulfamoyl)-4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99978018
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-(propan-2-ylamino)benzoic acid
CID 99979401
3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid
CID 99977266
4-[2-(cyclohexen-1-yl)ethylamino]-3-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99978619

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid (CID 99979352) is 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid is O=C(O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid?
The InChIKey is ZXOYEYSKESIDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c26-23(27)20-11-12-21(24-15-13-18-7-3-1-4-8-18)22(17-20)30(28,29)25-16-14-19-9-5-2-6-10-19/h1-12,17,24-25H,13-16H2,(H,26,27).
What are the key properties of 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid?
4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid has a molecular weight of 424.52 g/mol, XLogP of 3.56, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 99979352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).