N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide

C14H20N2OS — CID 60656645

IUPACN-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CCC#N)CC(C)C)sc1C
InChIInChI=1S/C14H20N2OS/c1-10(2)9-16(7-5-6-15)14(17)13-8-11(3)12(4)18-13/h8,10H,5,7,9H2,1-4H3
InChIKeyDWGDZAIRIUTHAI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.38
Rot. Bonds5

About N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide

N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 60656645) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID60656645
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CCC#N)CC(C)C)sc1C
InChIInChI=1S/C14H20N2OS/c1-10(2)9-16(7-5-6-15)14(17)13-8-11(3)12(4)18-13/h8,10H,5,7,9H2,1-4H3
InChIKeyDWGDZAIRIUTHAI-UHFFFAOYSA-N
XLogP3.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60654395
N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 54940591
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4,5-dimethylthiophene-2-carboxamide
CID 107491841
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
4-amino-N-(2-cyanoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61113965
3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 62734954
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide
CID 65238122
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615747

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide (CID 60656645) is N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide is Cc1cc(C(=O)N(CCC#N)CC(C)C)sc1C.
What is the InChIKey of N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is DWGDZAIRIUTHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)9-16(7-5-6-15)14(17)13-8-11(3)12(4)18-13/h8,10H,5,7,9H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide?
N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4,5-dimethyl-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 60656645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).