4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid

C15H24N2O5S — CID 132652558

IUPAC4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
SMILESCCCC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC
InChIInChI=1S/C15H24N2O5S/c1-4-5-11(2)17-23(20,21)14-10-12(15(18)19)6-7-13(14)16-8-9-22-3/h6-7,10-11,16-17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyJLIDCDBJEPLWNJ-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.91
Rot. Bonds10

About 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid

4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid (PubChem CID 132652558) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
PubChem CID132652558
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
SMILESCCCC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC
InChIInChI=1S/C15H24N2O5S/c1-4-5-11(2)17-23(20,21)14-10-12(15(18)19)6-7-13(14)16-8-9-22-3/h6-7,10-11,16-17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyJLIDCDBJEPLWNJ-UHFFFAOYSA-N
XLogP1.91
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)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

3-[[(2R)-pentan-2-yl]sulfamoyl]-4-(propylamino)benzoic acid
CID 99980772
4-(2-hydroxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
CID 132651462
4-[[(2S)-pentan-2-yl]amino]-3-[[(2S)-pentan-2-yl]sulfamoyl]benzoic acid
CID 99981030
3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-4-(3-methylbutylamino)benzoic acid
CID 99981288
4-(2-methoxyethylamino)-3-(1-phenylethylsulfamoyl)benzoic acid
CID 132656810
4-(2-methoxyethylamino)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid
CID 99979186
4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981147
4-(2-methoxyethylamino)-3-(3-methylbutylsulfamoyl)benzoic acid
CID 99980659
3-[[(2R)-butan-2-yl]sulfamoyl]-4-(2-hydroxyethylamino)benzoic acid
CID 99977847
4-[[(2S)-pentan-2-yl]amino]-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977552
3-[[(2R)-butan-2-yl]sulfamoyl]-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99977956
3-(butan-2-ylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652557

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid (CID 132652558) is 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid is CCCC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCCOC.
What is the InChIKey of 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid?
The InChIKey is JLIDCDBJEPLWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-4-5-11(2)17-23(20,21)14-10-12(15(18)19)6-7-13(14)16-8-9-22-3/h6-7,10-11,16-17H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid?
4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid has a molecular weight of 344.43 g/mol, XLogP of 1.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 132652558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).