2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid

C18H23N3O4S — CID 122060688

IUPAC2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
SMILESCCCC(Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1)C(=O)O
InChIInChI=1S/C18H23N3O4S/c1-3-8-16(18(22)23)20-17-12-11-15(13-19-17)26(24,25)21(4-2)14-9-6-5-7-10-14/h5-7,9-13,16H,3-4,8H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyKYFRZCOAGPINAB-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.96
Rot. Bonds9

About 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid

2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid (PubChem CID 122060688) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
PubChem CID122060688
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
SMILESCCCC(Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1)C(=O)O
InChIInChI=1S/C18H23N3O4S/c1-3-8-16(18(22)23)20-17-12-11-15(13-19-17)26(24,25)21(4-2)14-9-6-5-7-10-14/h5-7,9-13,16H,3-4,8H2,1-2H3,(H,19,20)(H,22,23)
InChIKeyKYFRZCOAGPINAB-UHFFFAOYSA-N
XLogP2.96
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic 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

N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 60570329
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 9107729
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea
CID 27165444
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-fluorophenyl)urea
CID 27165441
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
N-butyl-4-[[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]methyl]benzamide
CID 112840794

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid?
The IUPAC name of 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid (CID 122060688) is 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid?
The canonical SMILES for 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid is CCCC(Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1)C(=O)O.
What is the InChIKey of 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid?
The InChIKey is KYFRZCOAGPINAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-8-16(18(22)23)20-17-12-11-15(13-19-17)26(24,25)21(4-2)14-9-6-5-7-10-14/h5-7,9-13,16H,3-4,8H2,1-2H3,(H,19,20)(H,22,23).
What are the key properties of 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid?
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid has a molecular weight of 377.47 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 122060688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).