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

C16H22N2O2S — CID 3239395

IUPACN-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H22N2O2S/c1-16(15(20)17-12-5-2-3-6-12)9-8-14(19)18(16)11-13-7-4-10-21-13/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3,(H,17,20)
InChIKeyKFJDTPDUAKJECQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.69
Rot. Bonds4

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

N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 3239395) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID3239395
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H22N2O2S/c1-16(15(20)17-12-5-2-3-6-12)9-8-14(19)18(16)11-13-7-4-10-21-13/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3,(H,17,20)
InChIKeyKFJDTPDUAKJECQ-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 3239395) is N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1cccs1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is KFJDTPDUAKJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-16(15(20)17-12-5-2-3-6-12)9-8-14(19)18(16)11-13-7-4-10-21-13/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3,(H,17,20).
What are the key properties of N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
N-cyclopentyl-2-methyl-5-oxo-1-(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 N-cyclopentyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3239395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).