(3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide

C17H18N2O3S — CID 56960533

IUPAC(3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccsc1CNC(=O)[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O3S/c1-12-7-10-23-14(12)11-18-15(20)17(22)8-9-19(16(17)21)13-5-3-2-4-6-13/h2-7,10,22H,8-9,11H2,1H3,(H,18,20)/t17-/m0/s1
InChIKeyCWYUUSFIFPNKPV-KRWDZBQOSA-N
MW330.41 g/mol
LogP1.84
Rot. Bonds4

About (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 56960533) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID56960533
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1ccsc1CNC(=O)[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O3S/c1-12-7-10-23-14(12)11-18-15(20)17(22)8-9-19(16(17)21)13-5-3-2-4-6-13/h2-7,10,22H,8-9,11H2,1H3,(H,18,20)/t17-/m0/s1
InChIKeyCWYUUSFIFPNKPV-KRWDZBQOSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide 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~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 56959820
(2R,3R)-4-(2-(3-(dimethylamino)phenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-(2-(thiophen-2-yl)ethyl)butanamide
CID 11524821
(3S)-3-hydroxy-N-[2-(5-methylthiophen-2-yl)ethyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959518
(3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 56960117
3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 56960254
(3S)-3-hydroxy-N-[(4-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56960810
(3S)-3-hydroxy-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56960811
5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 654468
1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 2998754
N-[1-(4-Methylphenyl)-5-oxopyrrolidin-3-YL]-2-(thiophen-2-YL)acetamide
CID 16032431
2-Oxo-1-phenylpyrrolidine-3-carboxylic acid (2-thiophen-2-ylethyl)amide
CID 20964219
(3R)-3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 89893205

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 56960533) is (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1ccsc1CNC(=O)[C@@]1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is CWYUUSFIFPNKPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-7-10-23-14(12)11-18-15(20)17(22)8-9-19(16(17)21)13-5-3-2-4-6-13/h2-7,10,22H,8-9,11H2,1H3,(H,18,20)/t17-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56960533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).