N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide

C17H18F3NO2S — CID 122160193

IUPACN-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCCC(CCO)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3NO2S/c18-17(19,20)14-5-2-1-4-13(14)16(23)21-9-7-12(8-10-22)15-6-3-11-24-15/h1-6,11-12,22H,7-10H2,(H,21,23)
InChIKeyRBRGHYQWCFVOSI-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.05
Rot. Bonds7

About N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide

N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide (PubChem CID 122160193) has the molecular formula C17H18F3NO2S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide
PubChem CID122160193
Molecular FormulaC17H18F3NO2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC NameN-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCCC(CCO)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3NO2S/c18-17(19,20)14-5-2-1-4-13(14)16(23)21-9-7-12(8-10-22)15-6-3-11-24-15/h1-6,11-12,22H,7-10H2,(H,21,23)
InChIKeyRBRGHYQWCFVOSI-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122160647
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 46572832

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide (CID 122160193) is N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide is O=C(NCCC(CCO)c1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide?
The InChIKey is RBRGHYQWCFVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2S/c18-17(19,20)14-5-2-1-4-13(14)16(23)21-9-7-12(8-10-22)15-6-3-11-24-15/h1-6,11-12,22H,7-10H2,(H,21,23).
What are the key properties of N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide?
N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide has a molecular weight of 357.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-thiophen-2-ylpentyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 122160193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).