N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide

C12H16N2O2S — CID 110736543

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
SMILESCN1CC(NC(=O)CCc2cccs2)CC1=O
InChIInChI=1S/C12H16N2O2S/c1-14-8-9(7-12(14)16)13-11(15)5-4-10-3-2-6-17-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,15)
InChIKeyHZGWNCPNSUROND-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.03
Rot. Bonds4

About N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide (PubChem CID 110736543) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
PubChem CID110736543
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
SMILESCN1CC(NC(=O)CCc2cccs2)CC1=O
InChIInChI=1S/C12H16N2O2S/c1-14-8-9(7-12(14)16)13-11(15)5-4-10-3-2-6-17-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,15)
InChIKeyHZGWNCPNSUROND-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
CID 130585425
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 95968730
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255570
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
CID 110751628

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide (CID 110736543) is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide is CN1CC(NC(=O)CCc2cccs2)CC1=O.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is HZGWNCPNSUROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-14-8-9(7-12(14)16)13-11(15)5-4-10-3-2-6-17-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,13,15).
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 252.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110736543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).