(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid

C18H20N2O5S — CID 119366041

IUPAC(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O5S/c21-17(20-11-3-6-16(20)18(22)23)9-10-19-26(24,25)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,12,16,19H,3,6,9-11H2,(H,22,23)/t16-/m0/s1
InChIKeyIRQPOGWQKPDCLH-INIZCTEOSA-N
MW376.43 g/mol
LogP1.58
Rot. Bonds6

About (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119366041) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119366041
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O5S/c21-17(20-11-3-6-16(20)18(22)23)9-10-19-26(24,25)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,12,16,19H,3,6,9-11H2,(H,22,23)/t16-/m0/s1
InChIKeyIRQPOGWQKPDCLH-INIZCTEOSA-N
XLogP1.58
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-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

N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119633298
N-[3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propyl]naphthalene-2-sulfonamide
CID 55925214
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119468452
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 56550806
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
(2R,3R)-1-[3-(benzenesulfonamido)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122114835
(2S)-1-[2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365630
3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256637
(2R)-1-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370897
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 119366041) is (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IRQPOGWQKPDCLH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-17(20-11-3-6-16(20)18(22)23)9-10-19-26(24,25)15-8-7-13-4-1-2-5-14(13)12-15/h1-2,4-5,7-8,12,16,19H,3,6,9-11H2,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119366041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).