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

C16H16N2OS — CID 62035390

IUPAC4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile
SMILESCCN(CC(=O)c1ccc(C#N)cc1)Cc1cccs1
InChIInChI=1S/C16H16N2OS/c1-2-18(11-15-4-3-9-20-15)12-16(19)14-7-5-13(10-17)6-8-14/h3-9H,2,11-12H2,1H3
InChIKeyPAGUKFJZLWGOSU-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.32
Rot. Bonds6

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

4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile (PubChem CID 62035390) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile
PubChem CID62035390
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile
SMILESCCN(CC(=O)c1ccc(C#N)cc1)Cc1cccs1
InChIInChI=1S/C16H16N2OS/c1-2-18(11-15-4-3-9-20-15)12-16(19)14-7-5-13(10-17)6-8-14/h3-9H,2,11-12H2,1H3
InChIKeyPAGUKFJZLWGOSU-UHFFFAOYSA-N
XLogP3.32
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62035966
4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
CID 79488497
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62036551
2-[ethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60681704
4-[2-[2-cyanopropyl(ethyl)amino]acetyl]benzonitrile
CID 62034878
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
4-(2-thiophen-2-ylsulfinylacetyl)benzonitrile
CID 64639286
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718270
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile?
The IUPAC name of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile (CID 62035390) is 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile is CCN(CC(=O)c1ccc(C#N)cc1)Cc1cccs1.
What is the InChIKey of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile?
The InChIKey is PAGUKFJZLWGOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-18(11-15-4-3-9-20-15)12-16(19)14-7-5-13(10-17)6-8-14/h3-9H,2,11-12H2,1H3.
What are the key properties of 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile?
4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile has a molecular weight of 284.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]benzonitrile is sourced from PubChem (CID 62035390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).