3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C14H12N2OS — CID 18110376

IUPAC3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H12N2OS/c1-16(9-12-5-6-18-10-12)14(17)13-4-2-3-11(7-13)8-15/h2-7,10H,9H2,1H3
InChIKeyFLXNDWXDQZBRQR-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.89
Rot. Bonds3

About 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide

3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18110376) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18110376
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H12N2OS/c1-16(9-12-5-6-18-10-12)14(17)13-4-2-3-11(7-13)8-15/h2-7,10H,9H2,1H3
InChIKeyFLXNDWXDQZBRQR-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

Thiophene derivative, 3c
CID 25023797
Thiophene-3-carbonitrile, 2-methylthio-5-(1-piperidinylcarbonyl)-4-(2-thienyl)-
CID 617079
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484611
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
CID 2813034
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166619
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320
3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide
CID 59054325

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 18110376) is 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is FLXNDWXDQZBRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16(9-12-5-6-18-10-12)14(17)13-4-2-3-11(7-13)8-15/h2-7,10H,9H2,1H3.
What are the key properties of 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide 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 3-cyano-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18110376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).