1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide

C13H18N2O2S — CID 60680059

IUPAC1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)CN2CCCC2C(N)=O)c(C)s1
InChIInChI=1S/C13H18N2O2S/c1-8-6-10(9(2)18-8)12(16)7-15-5-3-4-11(15)13(14)17/h6,11H,3-5,7H2,1-2H3,(H2,14,17)
InChIKeyAAHMUPYRCMLUDT-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide

1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 60680059) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID60680059
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)CN2CCCC2C(N)=O)c(C)s1
InChIInChI=1S/C13H18N2O2S/c1-8-6-10(9(2)18-8)12(16)7-15-5-3-4-11(15)13(14)17/h6,11H,3-5,7H2,1-2H3,(H2,14,17)
InChIKeyAAHMUPYRCMLUDT-UHFFFAOYSA-N
XLogP1.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperidine-2-carboxamide
CID 60681090
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide
CID 60677071
1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680985
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 115560586
1-phenacylpiperidine-2-carboxamide
CID 60681003
1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 62037237
2-(4,4-dimethylazepan-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 65282532
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one
CID 62023560
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680989
1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 60680965
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 60680059) is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide is Cc1cc(C(=O)CN2CCCC2C(N)=O)c(C)s1.
What is the InChIKey of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is AAHMUPYRCMLUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-6-10(9(2)18-8)12(16)7-15-5-3-4-11(15)13(14)17/h6,11H,3-5,7H2,1-2H3,(H2,14,17).
What are the key properties of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide?
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60680059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).