1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C16H22N2O2S — CID 3245861

IUPAC1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccs1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C16H22N2O2S/c19-15-9-8-14(18(15)12-5-2-1-3-6-12)16(20)17-11-13-7-4-10-21-13/h4,7,10,12,14H,1-3,5-6,8-9,11H2,(H,17,20)
InChIKeyVJMBYKNLWAIEEG-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 3245861) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID3245861
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccs1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C16H22N2O2S/c19-15-9-8-14(18(15)12-5-2-1-3-6-12)16(20)17-11-13-7-4-10-21-13/h4,7,10,12,14H,1-3,5-6,8-9,11H2,(H,17,20)
InChIKeyVJMBYKNLWAIEEG-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tenilsetam
CID 65649
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
5-(Morpholinocarbonyl)-1-(2-thienylmethyl)-2-pyrrolidinone
CID 4639573
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
Proline scaffold, 32
CID 42618129
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-thiophen-2-ylmethyl-amide
CID 649773
N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(3-methyl-thiophen-2-yl)-acetamide
CID 652619
1-(2-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 2999598
N-cyclopentyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3242787
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-5-oxo-N-(thiophen-2-ylmethyl)prolinamide
CID 3881425
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4425543

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 3245861) is 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1cccs1)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is VJMBYKNLWAIEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15-9-8-14(18(15)12-5-2-1-3-6-12)16(20)17-11-13-7-4-10-21-13/h4,7,10,12,14H,1-3,5-6,8-9,11H2,(H,17,20).
What are the key properties of 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3245861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).