N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide

C12H16N2O2S — CID 61062526

IUPACN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1cccs1
InChIInChI=1S/C12H16N2O2S/c1-9(8-14-6-2-5-11(14)15)13-12(16)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3,(H,13,16)
InChIKeyMNCLFNWJTMDBSR-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.49
Rot. Bonds4

About N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide

N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 61062526) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID61062526
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)c1cccs1
InChIInChI=1S/C12H16N2O2S/c1-9(8-14-6-2-5-11(14)15)13-12(16)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3,(H,13,16)
InChIKeyMNCLFNWJTMDBSR-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 115286494
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
CID 47267922
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
2,4-diamino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 61117076
2-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66375513
3-bromo-2-methyl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 97054372
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60934371
3-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1-benzothiophene-2-carboxamide
CID 60535154

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide (CID 61062526) is N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide is CC(CN1CCCC1=O)NC(=O)c1cccs1.
What is the InChIKey of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is MNCLFNWJTMDBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9(8-14-6-2-5-11(14)15)13-12(16)10-4-3-7-17-10/h3-4,7,9H,2,5-6,8H2,1H3,(H,13,16).
What are the key properties of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide?
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 61062526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).