4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile

C17H18N2OS — CID 79488497

IUPAC4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
SMILESCC(Cc1cccs1)N(C)CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H18N2OS/c1-13(10-16-4-3-9-21-16)19(2)12-17(20)15-7-5-14(11-18)6-8-15/h3-9,13H,10,12H2,1-2H3
InChIKeyWGWWESDALLAYNZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.37
Rot. Bonds6

About 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile

4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile (PubChem CID 79488497) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
PubChem CID79488497
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
SMILESCC(Cc1cccs1)N(C)CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H18N2OS/c1-13(10-16-4-3-9-21-16)19(2)12-17(20)15-7-5-14(11-18)6-8-15/h3-9,13H,10,12H2,1-2H3
InChIKeyWGWWESDALLAYNZ-UHFFFAOYSA-N
XLogP3.37
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile with MolForge

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Related Compounds

1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486106
1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488675
4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile
CID 62035390
4-[2-[methyl(4-methylpentan-2-yl)amino]acetyl]benzonitrile
CID 54999693
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408
1-(2,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488668
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
1-(5-fluoro-2-hydroxyphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488678
3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
CID 63223350
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
4-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62981009
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile?
The IUPAC name of 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile (CID 79488497) is 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile is CC(Cc1cccs1)N(C)CC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile?
The InChIKey is WGWWESDALLAYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13(10-16-4-3-9-21-16)19(2)12-17(20)15-7-5-14(11-18)6-8-15/h3-9,13H,10,12H2,1-2H3.
What are the key properties of 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile?
4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile has a molecular weight of 298.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile is sourced from PubChem (CID 79488497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).