[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate

C19H20N2O4S — CID 7888808

IUPAC[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)N1CCCC1
InChIInChI=1S/C19H20N2O4S/c1-13(18(23)21-9-2-3-10-21)25-19(24)14-6-4-7-15(12-14)20-17(22)16-8-5-11-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyZLTSVMAAKGCZSE-CYBMUJFWSA-N
MW372.45 g/mol
LogP3.17
Rot. Bonds5

About [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate

[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 7888808) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
PubChem CID7888808
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)N1CCCC1
InChIInChI=1S/C19H20N2O4S/c1-13(18(23)21-9-2-3-10-21)25-19(24)14-6-4-7-15(12-14)20-17(22)16-8-5-11-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyZLTSVMAAKGCZSE-CYBMUJFWSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate 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

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate
CID 18194139
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 55380108
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-hydroxybenzoate
CID 7790061
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 40985004
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 30819143
N-[3-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18157126
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491891
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491883
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate (CID 7888808) is [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate is C[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)N1CCCC1.
What is the InChIKey of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is ZLTSVMAAKGCZSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13(18(23)21-9-2-3-10-21)25-19(24)14-6-4-7-15(12-14)20-17(22)16-8-5-11-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 372.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 7888808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).