3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide

C15H14N2OS — CID 110870539

IUPAC3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1cccc(C#N)c1)c1cccs1
InChIInChI=1S/C15H14N2OS/c1-15(2,13-7-4-8-19-13)17-14(18)12-6-3-5-11(9-12)10-16/h3-9H,1-2H3,(H,17,18)
InChIKeyWHDISGYYDVUVER-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.28
Rot. Bonds3

About 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide

3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 110870539) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID110870539
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1cccc(C#N)c1)c1cccs1
InChIInChI=1S/C15H14N2OS/c1-15(2,13-7-4-8-19-13)17-14(18)12-6-3-5-11(9-12)10-16/h3-9H,1-2H3,(H,17,18)
InChIKeyWHDISGYYDVUVER-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide (CID 110870539) is 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide is CC(C)(NC(=O)c1cccc(C#N)c1)c1cccs1.
What is the InChIKey of 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is WHDISGYYDVUVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-15(2,13-7-4-8-19-13)17-14(18)12-6-3-5-11(9-12)10-16/h3-9H,1-2H3,(H,17,18).
What are the key properties of 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide?
3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 270.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 110870539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).