3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide

C15H14N2O2S — CID 95983254

IUPAC3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
SMILESC[C@](O)(CNC(=O)c1cccc(C#N)c1)c1cccs1
InChIInChI=1S/C15H14N2O2S/c1-15(19,13-6-3-7-20-13)10-17-14(18)12-5-2-4-11(8-12)9-16/h2-8,19H,10H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyFCUUCXZOJRGVCG-HNNXBMFYSA-N
MW286.36 g/mol
LogP2.26
Rot. Bonds4

About 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide

3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide (PubChem CID 95983254) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
PubChem CID95983254
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
SMILESC[C@](O)(CNC(=O)c1cccc(C#N)c1)c1cccs1
InChIInChI=1S/C15H14N2O2S/c1-15(19,13-6-3-7-20-13)10-17-14(18)12-5-2-4-11(8-12)9-16/h2-8,19H,10H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyFCUUCXZOJRGVCG-HNNXBMFYSA-N
XLogP2.26
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90496994
3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide
CID 110870539
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 90499784
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
N-(3-bromo-2,2-dimethylpropyl)-3-cyanobenzamide
CID 115364797
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
3-cyano-N-(2,2-diphenylpropyl)benzamide
CID 16567575
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111442251

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide?
The IUPAC name of 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide (CID 95983254) is 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide?
The canonical SMILES for 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide is C[C@](O)(CNC(=O)c1cccc(C#N)c1)c1cccs1.
What is the InChIKey of 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide?
The InChIKey is FCUUCXZOJRGVCG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-15(19,13-6-3-7-20-13)10-17-14(18)12-5-2-4-11(8-12)9-16/h2-8,19H,10H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide?
3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide has a molecular weight of 286.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide is sourced from PubChem (CID 95983254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).