N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide

C17H16F3NO2S — CID 95982745

IUPACN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@](O)(c1cccs1)C1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)13-5-2-1-4-12(13)15(22)21-10-16(23,11-7-8-11)14-6-3-9-24-14/h1-6,9,11,23H,7-8,10H2,(H,21,22)/t16-/m0/s1
InChIKeyFOBZGDFUEQIZPF-INIZCTEOSA-N
MW355.38 g/mol
LogP3.79
Rot. Bonds5

About N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide

N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide (PubChem CID 95982745) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
PubChem CID95982745
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@](O)(c1cccs1)C1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)13-5-2-1-4-12(13)15(22)21-10-16(23,11-7-8-11)14-6-3-9-24-14/h1-6,9,11,23H,7-8,10H2,(H,21,22)/t16-/m0/s1
InChIKeyFOBZGDFUEQIZPF-INIZCTEOSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1R,2R)-2-[4-[(4,4-difluorocyclohexyl)carbamoyl]thiophen-2-yl]cyclopropyl]amino]methyl]benzoic acid
CID 118432790
N-[2-hydroxy-2-(thiophen-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52992625
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide
CID 52992675
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
2-(methylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764210
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-methylthiophene-2-carboxamide
CID 56765427
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 71781710
2-(thiophen-2-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781968
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-3-(trifluoromethyl)benzamide
CID 71787829
N-[2-Methoxy-2-(5-methylthiophen-2-YL)ethyl]-2-(trifluoromethyl)benzamide
CID 71810358

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide (CID 95982745) is N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide is O=C(NC[C@@](O)(c1cccs1)C1CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is FOBZGDFUEQIZPF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c18-17(19,20)13-5-2-1-4-12(13)15(22)21-10-16(23,11-7-8-11)14-6-3-9-24-14/h1-6,9,11,23H,7-8,10H2,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide?
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 355.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 95982745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).