5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C16H16N2O2S — CID 654468

IUPAC5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H16N2O2S/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h1-8,12H,9-11H2,(H,17,20)
InChIKeyPOJZEYSDLWWKLW-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.42
Rot. Bonds4

About 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 654468) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID654468
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H16N2O2S/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h1-8,12H,9-11H2,(H,17,20)
InChIKeyPOJZEYSDLWWKLW-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 654468) is 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccs1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is POJZEYSDLWWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h1-8,12H,9-11H2,(H,17,20).
What are the key properties of 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 654468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).