N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide

C14H12N2OS — CID 39859854

IUPACN-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1
InChIInChI=1S/C14H12N2OS/c1-16(14(17)13-6-7-18-10-13)9-12-4-2-11(8-15)3-5-12/h2-7,10H,9H2,1H3
InChIKeyQRRLNRKNBRNRCW-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.89
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide

N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide (PubChem CID 39859854) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
PubChem CID39859854
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1
InChIInChI=1S/C14H12N2OS/c1-16(14(17)13-6-7-18-10-13)9-12-4-2-11(8-15)3-5-12/h2-7,10H,9H2,1H3
InChIKeyQRRLNRKNBRNRCW-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

4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
3-bromo-N-[(4-cyanophenyl)methyl]-N,4-dimethylbenzamide
CID 79459673
N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
CID 47389178
N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 39861425
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 39860972
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-methyl-N-[(2-methylphenyl)methyl]thiophene-3-carboxamide
CID 78803856
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide (CID 39859854) is N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1ccsc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is QRRLNRKNBRNRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16(14(17)13-6-7-18-10-13)9-12-4-2-11(8-15)3-5-12/h2-7,10H,9H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide?
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-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-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 39859854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).