N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C11H14N2O2S — CID 3235944

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C11H14N2O2S/c14-10(13-5-1-2-6-13)8-12-11(15)9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2,(H,12,15)
InChIKeyXYTPIKBHIHFQGW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.10
Rot. Bonds3

About N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 3235944) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID3235944
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C11H14N2O2S/c14-10(13-5-1-2-6-13)8-12-11(15)9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2,(H,12,15)
InChIKeyXYTPIKBHIHFQGW-UHFFFAOYSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 3235944) is N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is O=C(NCC(=O)N1CCCC1)c1cccs1.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is XYTPIKBHIHFQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-10(13-5-1-2-6-13)8-12-11(15)9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2,(H,12,15).
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3235944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).