2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide

C11H14N2OS — CID 55209942

IUPAC2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C11H14N2OS/c1-3-9(6-12)11(14)13-7-10-5-4-8(2)15-10/h4-5,9H,3,7H2,1-2H3,(H,13,14)
InChIKeyGTLJURGCCDYUBY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.22
Rot. Bonds4

About 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide

2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide (PubChem CID 55209942) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
PubChem CID55209942
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCCC(C#N)C(=O)NCc1ccc(C)s1
InChIInChI=1S/C11H14N2OS/c1-3-9(6-12)11(14)13-7-10-5-4-8(2)15-10/h4-5,9H,3,7H2,1-2H3,(H,13,14)
InChIKeyGTLJURGCCDYUBY-UHFFFAOYSA-N
XLogP2.22
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(5-methylthiophen-2-yl)methyl]pentanamide
CID 62056893
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 114137027
(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 94824862
2-cyano-N-[(2,4-dimethylphenyl)methyl]butanamide
CID 115188283
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55208431
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780
2-cyano-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115188310
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide (CID 55209942) is 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide is CCC(C#N)C(=O)NCc1ccc(C)s1.
What is the InChIKey of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is GTLJURGCCDYUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-9(6-12)11(14)13-7-10-5-4-8(2)15-10/h4-5,9H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide?
2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 222.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 55209942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).