4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile

C15H14N2OS — CID 62051809

IUPAC4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)Cc1ccsc1
InChIInChI=1S/C15H14N2OS/c1-17(9-13-6-7-19-11-13)10-15(18)14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3
InChIKeyJCDUFMVMSVVSRB-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.93
Rot. Bonds5

About 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile

4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile (PubChem CID 62051809) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
PubChem CID62051809
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)Cc1ccsc1
InChIInChI=1S/C15H14N2OS/c1-17(9-13-6-7-19-11-13)10-15(18)14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3
InChIKeyJCDUFMVMSVVSRB-UHFFFAOYSA-N
XLogP2.93
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051999
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62036459
4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
CID 62034806
4-[1-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]ethyl]benzonitrile
CID 43528196
1-(3-bromo-4-methoxyphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051214
4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
CID 62035950
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 62981534
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854
3-methyl-4-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 54934515

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile?
The IUPAC name of 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile (CID 62051809) is 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile is CN(CC(=O)c1ccc(C#N)cc1)Cc1ccsc1.
What is the InChIKey of 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile?
The InChIKey is JCDUFMVMSVVSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17(9-13-6-7-19-11-13)10-15(18)14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3.
What are the key properties of 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile?
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile has a molecular weight of 270.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile is sourced from PubChem (CID 62051809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).