N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide

C13H10N2OS — CID 47407929

IUPACN-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1cccc(C#N)c1
InChIInChI=1S/C13H10N2OS/c1-15(13(16)12-6-3-7-17-12)11-5-2-4-10(8-11)9-14/h2-8H,1H3
InChIKeyUYZFNFZXAIENKJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.90
Rot. Bonds2

About N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide

N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 47407929) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
PubChem CID47407929
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC NameN-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1cccc(C#N)c1
InChIInChI=1S/C13H10N2OS/c1-15(13(16)12-6-3-7-17-12)11-5-2-4-10(8-11)9-14/h2-8H,1H3
InChIKeyUYZFNFZXAIENKJ-UHFFFAOYSA-N
XLogP2.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407994
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79479305
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
CID 13176318
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
CID 62983094
3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107096775
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide (CID 47407929) is N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is UYZFNFZXAIENKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-15(13(16)12-6-3-7-17-12)11-5-2-4-10(8-11)9-14/h2-8H,1H3.
What are the key properties of N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide?
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47407929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).