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

C17H26N2OS — CID 4289593

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C17H26N2OS/c1-4-5-6-7-8-9-10-11-16(20)19-17-15(12-18)13(2)14(3)21-17/h4-11H2,1-3H3,(H,19,20)
InChIKeyVUQCIBBDSMTCHS-UHFFFAOYSA-N
MW306.48 g/mol
LogP5.32
Rot. Bonds9

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide (PubChem CID 4289593) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide
PubChem CID4289593
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C17H26N2OS/c1-4-5-6-7-8-9-10-11-16(20)19-17-15(12-18)13(2)14(3)21-17/h4-11H2,1-3H3,(H,19,20)
InChIKeyVUQCIBBDSMTCHS-UHFFFAOYSA-N
XLogP5.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685
methyl 4-cyano-5-(dodecanoylamino)-3-methylthiophene-2-carboxylate
CID 3554452
methyl 4-cyano-3-methyl-5-(nonanoylamino)thiophene-2-carboxylate
CID 4586360
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111825521
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
ethyl 2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4688162
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631857
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylbut-2-enamide
CID 30659767
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)heptanamide
CID 3334122

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide (CID 4289593) is N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide is CCCCCCCCCC(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide?
The InChIKey is VUQCIBBDSMTCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-5-6-7-8-9-10-11-16(20)19-17-15(12-18)13(2)14(3)21-17/h4-11H2,1-3H3,(H,19,20).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide has a molecular weight of 306.48 g/mol, XLogP of 5.32, 9 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)decanamide is sourced from PubChem (CID 4289593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).