5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide

C15H14N2O2S — CID 168698348

IUPAC5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C15H14N2O2S/c16-15(19)12-7-14(18)17(8-12)13-3-1-2-10(6-13)11-4-5-20-9-11/h1-6,9,12H,7-8H2,(H2,16,19)
InChIKeyMRLQPYMVTDCWRL-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.25
Rot. Bonds3

About 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide

5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 168698348) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID168698348
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc(-c3ccsc3)c2)C1
InChIInChI=1S/C15H14N2O2S/c16-15(19)12-7-14(18)17(8-12)13-3-1-2-10(6-13)11-4-5-20-9-11/h1-6,9,12H,7-8H2,(H2,16,19)
InChIKeyMRLQPYMVTDCWRL-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
1-[3-(methylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696359
1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698374
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
1-(3-thiophen-3-ylphenyl)pyrrolidine
CID 145461347
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
CID 168698344

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide (CID 168698348) is 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cccc(-c3ccsc3)c2)C1.
What is the InChIKey of 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is MRLQPYMVTDCWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-15(19)12-7-14(18)17(8-12)13-3-1-2-10(6-13)11-4-5-20-9-11/h1-6,9,12H,7-8H2,(H2,16,19).
What are the key properties of 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide?
5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168698348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).