2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide

C13H18N2OS — CID 114137027

IUPAC2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
SMILESCCCC(C#N)C(=O)NCc1ccc(CC)s1
InChIInChI=1S/C13H18N2OS/c1-3-5-10(8-14)13(16)15-9-12-7-6-11(4-2)17-12/h6-7,10H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyUSKLMPJTNAXWSJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.87
Rot. Bonds6

About 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide

2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide (PubChem CID 114137027) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
PubChem CID114137027
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
SMILESCCCC(C#N)C(=O)NCc1ccc(CC)s1
InChIInChI=1S/C13H18N2OS/c1-3-5-10(8-14)13(16)15-9-12-7-6-11(4-2)17-12/h6-7,10H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyUSKLMPJTNAXWSJ-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.87
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-ethylthiophen-2-yl)methyl]pentanamide
CID 106011877
2-cyano-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 55209942
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384976
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide
CID 106011392
(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 94106356
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
CID 79236197
2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide
CID 64530573
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide?
The IUPAC name of 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide (CID 114137027) is 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide?
The canonical SMILES for 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide is CCCC(C#N)C(=O)NCc1ccc(CC)s1.
What is the InChIKey of 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide?
The InChIKey is USKLMPJTNAXWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-5-10(8-14)13(16)15-9-12-7-6-11(4-2)17-12/h6-7,10H,3-5,9H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide?
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide has a molecular weight of 250.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 114137027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).