N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide

C13H16N2OS — CID 903195

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide
SMILESCc1sc(NC(=O)C2CCCC2)c(C#N)c1C
InChIInChI=1S/C13H16N2OS/c1-8-9(2)17-13(11(8)7-14)15-12(16)10-5-3-4-6-10/h10H,3-6H2,1-2H3,(H,15,16)
InChIKeySWDFUROZVGINMA-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.37
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide (PubChem CID 903195) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide
PubChem CID903195
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide
SMILESCc1sc(NC(=O)C2CCCC2)c(C#N)c1C
InChIInChI=1S/C13H16N2OS/c1-8-9(2)17-13(11(8)7-14)15-12(16)10-5-3-4-6-10/h10H,3-6H2,1-2H3,(H,15,16)
InChIKeySWDFUROZVGINMA-UHFFFAOYSA-N
XLogP3.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

hGCGR antagonist
CID 619101
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 676715
2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 1992011
N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
CID 3160709
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 645308
N-(3-cyano-5-methyl-4-phenylthien-2-yl)cyclohexanecarboxamide
CID 1225338
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylpropanamide
CID 4613462
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 290230
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
CID 694422
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)propanamide
CID 741871
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,2-dimethylpropanamide
CID 741873
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclohexanecarboxamide
CID 847353

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide (CID 903195) is N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide is Cc1sc(NC(=O)C2CCCC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide?
The InChIKey is SWDFUROZVGINMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-9(2)17-13(11(8)7-14)15-12(16)10-5-3-4-6-10/h10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide has a molecular weight of 248.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 903195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).