N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide

C14H9N3OS — CID 103944405

IUPACN-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H9N3OS/c1-9-7-19-8-13(9)14(18)17-12-3-2-10(5-15)11(4-12)6-16/h2-4,7-8H,1H3,(H,17,18)
InChIKeyHPIFGDJAMJIFOP-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.05
Rot. Bonds2

About N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide

N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide (PubChem CID 103944405) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
PubChem CID103944405
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC NameN-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H9N3OS/c1-9-7-19-8-13(9)14(18)17-12-3-2-10(5-15)11(4-12)6-16/h2-4,7-8H,1H3,(H,17,18)
InChIKeyHPIFGDJAMJIFOP-UHFFFAOYSA-N
XLogP3.05
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dicyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107794528
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802134
2-amino-N-(3,4-dicyanophenyl)-3-methylbenzamide
CID 107786827
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-methylthiophene-3-carboxamide
CID 79807484
N-(3,4-dicyanophenyl)acetamide
CID 12938829
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
N-(3,4-dicyanophenyl)-2-(methylamino)benzamide
CID 107791441
N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide
CID 79802018
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
1-(3,4-dicyanophenyl)-3-[3-[(3,4-dicyanophenyl)carbamoylamino]-4-methylphenyl]urea
CID 166823023

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide (CID 103944405) is N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide?
The InChIKey is HPIFGDJAMJIFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-9-7-19-8-13(9)14(18)17-12-3-2-10(5-15)11(4-12)6-16/h2-4,7-8H,1H3,(H,17,18).
What are the key properties of N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide?
N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 103944405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).