3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid

C15H16N2O5S — CID 113083556

IUPAC3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)c1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C15H16N2O5S/c1-23(21,22)17-7-6-16-14(18)12-8-10-4-2-3-5-11(10)9-13(12)15(19)20/h2-5,8-9,17H,6-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyGAVRWHDKOLZOMB-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.82
Rot. Bonds6

About 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid

3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid (PubChem CID 113083556) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid
PubChem CID113083556
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)c1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C15H16N2O5S/c1-23(21,22)17-7-6-16-14(18)12-8-10-4-2-3-5-11(10)9-13(12)15(19)20/h2-5,8-9,17H,6-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyGAVRWHDKOLZOMB-UHFFFAOYSA-N
XLogP0.82
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic 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

3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
2-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]benzoic acid
CID 115923776
3-[2-[(4-fluorobenzoyl)amino]ethylcarbamoyl]naphthalene-2-carboxylic acid
CID 113083527
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460
2-[2-[2-(methanesulfonamido)ethylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119184470
2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 39975858
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
CID 80980104
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid (CID 113083556) is 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid is CS(=O)(=O)NCCNC(=O)c1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid?
The InChIKey is GAVRWHDKOLZOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-23(21,22)17-7-6-16-14(18)12-8-10-4-2-3-5-11(10)9-13(12)15(19)20/h2-5,8-9,17H,6-7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid?
3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid has a molecular weight of 336.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methanesulfonamido)ethylcarbamoyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 113083556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).