N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide

C14H12N2OS — CID 47161979

IUPACN-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cccs1
InChIInChI=1S/C14H12N2OS/c1-16(14(17)13-6-3-7-18-13)10-12-5-2-4-11(8-12)9-15/h2-8H,10H2,1H3
InChIKeyPDAMFGOCHJRKCN-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.89
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide

N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 47161979) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID47161979
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cccs1
InChIInChI=1S/C14H12N2OS/c1-16(14(17)13-6-3-7-18-13)10-12-5-2-4-11(8-12)9-15/h2-8H,10H2,1H3
InChIKeyPDAMFGOCHJRKCN-UHFFFAOYSA-N
XLogP2.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103863635
methyl 2-[(3-cyanophenyl)methyl-methylamino]-2-oxoacetate
CID 112617191
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 86925685
N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829715

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide (CID 47161979) is N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)c1cccs1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is PDAMFGOCHJRKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16(14(17)13-6-3-7-18-13)10-12-5-2-4-11(8-12)9-15/h2-8H,10H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide?
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47161979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).