N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide

C14H12N2OS — CID 55141574

IUPACN-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)c2ccc(C#N)cc2)s1
InChIInChI=1S/C14H12N2OS/c1-10-3-8-13(18-10)14(17)16(2)12-6-4-11(9-15)5-7-12/h3-8H,1-2H3
InChIKeyZSFBQLJINYPKHJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.20
Rot. Bonds2

About N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide

N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide (PubChem CID 55141574) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
PubChem CID55141574
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)c2ccc(C#N)cc2)s1
InChIInChI=1S/C14H12N2OS/c1-10-3-8-13(18-10)14(17)16(2)12-6-4-11(9-15)5-7-12/h3-8H,1-2H3
InChIKeyZSFBQLJINYPKHJ-UHFFFAOYSA-N
XLogP3.20
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)-N-methylthiophene-2-carboxamide
CID 62981333
N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 113290784
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N,5-dimethyl-N-naphthalen-2-ylthiophene-2-carboxamide
CID 51146862
N,5-dimethylthiophene-2-carbohydrazide
CID 90946987
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
N-[(4-cyanophenyl)methyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39859555
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407994
4-bromo-N-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
N-(4-cyanophenyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107671429

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide (CID 55141574) is N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)s1.
What is the InChIKey of N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is ZSFBQLJINYPKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-10-3-8-13(18-10)14(17)16(2)12-6-4-11(9-15)5-7-12/h3-8H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide?
N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 55141574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).