N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide

C16H16N2OS — CID 86979013

IUPACN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(N(CCC#N)C(=O)c2cccs2)cc1C
InChIInChI=1S/C16H16N2OS/c1-12-6-7-14(11-13(12)2)18(9-4-8-17)16(19)15-5-3-10-20-15/h3,5-7,10-11H,4,9H2,1-2H3
InChIKeyICJIGFVTRXRUAH-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.93
Rot. Bonds4

About N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 86979013) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
PubChem CID86979013
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(N(CCC#N)C(=O)c2cccs2)cc1C
InChIInChI=1S/C16H16N2OS/c1-12-6-7-14(11-13(12)2)18(9-4-8-17)16(19)15-5-3-10-20-15/h3,5-7,10-11H,4,9H2,1-2H3
InChIKeyICJIGFVTRXRUAH-UHFFFAOYSA-N
XLogP3.93
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 98486914
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CID 86979034
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 78833376
methyl 5-[2-cyanoethyl-(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylate
CID 86791153
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
N-[3-[N-(2-cyanoethyl)-3,4-dimethylanilino]-3-oxopropyl]adamantane-1-carboxamide
CID 86890756
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 42326083
N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 710672
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059977
ethyl 2-[2-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 24570943

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide (CID 86979013) is N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide is Cc1ccc(N(CCC#N)C(=O)c2cccs2)cc1C.
What is the InChIKey of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is ICJIGFVTRXRUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-6-7-14(11-13(12)2)18(9-4-8-17)16(19)15-5-3-10-20-15/h3,5-7,10-11H,4,9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide?
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 86979013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).