1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide

C14H20N2O2S — CID 114082271

IUPAC1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCCc1ccc(C(=O)CN2CCC(C)(C(N)=O)C2)s1
InChIInChI=1S/C14H20N2O2S/c1-3-10-4-5-12(19-10)11(17)8-16-7-6-14(2,9-16)13(15)18/h4-5H,3,6-9H2,1-2H3,(H2,15,18)
InChIKeyOKTJKOKLMWSJAO-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.69
Rot. Bonds5

About 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide

1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 114082271) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID114082271
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCCc1ccc(C(=O)CN2CCC(C)(C(N)=O)C2)s1
InChIInChI=1S/C14H20N2O2S/c1-3-10-4-5-12(19-10)11(17)8-16-7-6-14(2,9-16)13(15)18/h4-5H,3,6-9H2,1-2H3,(H2,15,18)
InChIKeyOKTJKOKLMWSJAO-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
CID 43227597
1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone
CID 114237526
1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160923
2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61445237
(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one
CID 60680384
2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61219184
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 63634796
3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835117
1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133849
3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 114082270
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
CID 133119695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide (CID 114082271) is 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide is CCc1ccc(C(=O)CN2CCC(C)(C(N)=O)C2)s1.
What is the InChIKey of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is OKTJKOKLMWSJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-10-4-5-12(19-10)11(17)8-16-7-6-14(2,9-16)13(15)18/h4-5H,3,6-9H2,1-2H3,(H2,15,18).
What are the key properties of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide?
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114082271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).