3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide

C17H16N2O2S — CID 90496994

IUPAC3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)(c2cccs2)C2CC2)c1
InChIInChI=1S/C17H16N2O2S/c18-10-12-3-1-4-13(9-12)16(20)19-11-17(21,14-6-7-14)15-5-2-8-22-15/h1-5,8-9,14,21H,6-7,11H2,(H,19,20)
InChIKeyICESTRYYLMEONC-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.65
Rot. Bonds5

About 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide

3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide (PubChem CID 90496994) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
PubChem CID90496994
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)(c2cccs2)C2CC2)c1
InChIInChI=1S/C17H16N2O2S/c18-10-12-3-1-4-13(9-12)16(20)19-11-17(21,14-6-7-14)15-5-2-8-22-15/h1-5,8-9,14,21H,6-7,11H2,(H,19,20)
InChIKeyICESTRYYLMEONC-UHFFFAOYSA-N
XLogP2.65
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 90496987
3-cyano-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzamide
CID 95379347
3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983254
4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90497055
3-cyano-N-(2-thiophen-2-ylpropan-2-yl)benzamide
CID 110870539
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide
CID 90497084
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
CID 71781709
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 99873674

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide (CID 90496994) is 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide is N#Cc1cccc(C(=O)NCC(O)(c2cccs2)C2CC2)c1.
What is the InChIKey of 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The InChIKey is ICESTRYYLMEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c18-10-12-3-1-4-13(9-12)16(20)19-11-17(21,14-6-7-14)15-5-2-8-22-15/h1-5,8-9,14,21H,6-7,11H2,(H,19,20).
What are the key properties of 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide?
3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90496994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).