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

C11H14N2OS — CID 3160709

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
SMILESCCCC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C11H14N2OS/c1-4-5-10(14)13-11-9(6-12)7(2)8(3)15-11/h4-5H2,1-3H3,(H,13,14)
InChIKeyOOPSQWZKPFOLCY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.98
Rot. Bonds3

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide (PubChem CID 3160709) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
PubChem CID3160709
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
SMILESCCCC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C11H14N2OS/c1-4-5-10(14)13-11-9(6-12)7(2)8(3)15-11/h4-5H2,1-3H3,(H,13,14)
InChIKeyOOPSQWZKPFOLCY-UHFFFAOYSA-N
XLogP2.98
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.98
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
4-[(3-Cyano-4,5-dimethylthien-2-yl)amino]-4-oxobutanoic acid
CID 785020
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 645308
N-(3-cyano-4,5-dimethyl-2-thienyl)cyclopentanecarboxamide
CID 903195
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-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
CID 726183
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 1714004
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)propanamide
CID 741871

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide (CID 3160709) is N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide is CCCC(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide?
The InChIKey is OOPSQWZKPFOLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-5-10(14)13-11-9(6-12)7(2)8(3)15-11/h4-5H2,1-3H3,(H,13,14).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide has a molecular weight of 222.31 g/mol, XLogP of 2.98, 3 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)butanamide is sourced from PubChem (CID 3160709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).