5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide

C13H18N2O2S — CID 56863100

IUPAC5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NC2CC(=O)N(CC)C2)cs1
InChIInChI=1S/C13H18N2O2S/c1-3-11-5-9(8-18-11)13(17)14-10-6-12(16)15(4-2)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,14,17)
InChIKeyCPCLCNZMSDOJKL-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.66
Rot. Bonds4

About 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide

5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide (PubChem CID 56863100) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
PubChem CID56863100
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NC2CC(=O)N(CC)C2)cs1
InChIInChI=1S/C13H18N2O2S/c1-3-11-5-9(8-18-11)13(17)14-10-6-12(16)15(4-2)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,14,17)
InChIKeyCPCLCNZMSDOJKL-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95885487
N-cyclopropyl-5-propylthiophene-3-carboxamide
CID 1244120
N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,2-diphenylacetamide
CID 136546634
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 126443376
1-amino-3-(1-ethyl-5-oxopyrrolidin-3-yl)thiourea
CID 130847134
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 72884702
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
CID 125159905
3-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 122016506
N-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-5-ethylthiophene-3-carboxamide
CID 51569753
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
3-[4-(aminomethyl)-2-fluorophenoxy]-N-(1-ethyl-5-oxopyrrolidin-3-yl)-4-methoxybenzamide;hydrochloride
CID 154921575
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016509

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide (CID 56863100) is 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide is CCc1cc(C(=O)NC2CC(=O)N(CC)C2)cs1.
What is the InChIKey of 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
The InChIKey is CPCLCNZMSDOJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-11-5-9(8-18-11)13(17)14-10-6-12(16)15(4-2)7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H,14,17).
What are the key properties of 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide?
5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 56863100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).