2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid

C19H16N2O5S — CID 2458884

IUPAC2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H16N2O5S/c22-18(23)12-20-19(24)14-5-8-16(9-6-14)21-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h1-11,21H,12H2,(H,20,24)(H,22,23)
InChIKeyJNCVVWSWKCPTRB-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.45
Rot. Bonds6

About 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid

2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid (PubChem CID 2458884) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid
PubChem CID2458884
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H16N2O5S/c22-18(23)12-20-19(24)14-5-8-16(9-6-14)21-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h1-11,21H,12H2,(H,20,24)(H,22,23)
InChIKeyJNCVVWSWKCPTRB-UHFFFAOYSA-N
XLogP2.45
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid (CID 2458884) is 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid?
The InChIKey is JNCVVWSWKCPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-18(23)12-20-19(24)14-5-8-16(9-6-14)21-27(25,26)17-10-7-13-3-1-2-4-15(13)11-17/h1-11,21H,12H2,(H,20,24)(H,22,23).
What are the key properties of 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid?
2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid has a molecular weight of 384.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(naphthalen-2-ylsulfonylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 2458884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).