4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide

C15H14N2OS — CID 65243956

IUPAC4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(C#N)cc2)sc1C
InChIInChI=1S/C15H14N2OS/c1-10-7-14(19-11(10)2)9-17-15(18)13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeySBFNGBQVIMJEGQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.17
Rot. Bonds3

About 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide

4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide (PubChem CID 65243956) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
PubChem CID65243956
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(C#N)cc2)sc1C
InChIInChI=1S/C15H14N2OS/c1-10-7-14(19-11(10)2)9-17-15(18)13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeySBFNGBQVIMJEGQ-UHFFFAOYSA-N
XLogP3.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 60736885
4-[(4,5-dimethylthiophen-2-yl)methylamino]benzonitrile
CID 65243959
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536031
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
CID 65241851
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
3-(3-aminoprop-1-ynyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65245267
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
CID 104852791
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 113255745

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide (CID 65243956) is 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(C#N)cc2)sc1C.
What is the InChIKey of 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
The InChIKey is SBFNGBQVIMJEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-7-14(19-11(10)2)9-17-15(18)13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide?
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide has a molecular weight of 270.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 65243956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).