N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide

C15H14F3NO3S — CID 99981283

IUPACN-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC[C@@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO3S/c16-15(17,18)22-12-3-1-10(2-4-12)14(21)19-7-5-13(20)11-6-8-23-9-11/h1-4,6,8-9,13,20H,5,7H2,(H,19,21)/t13-/m1/s1
InChIKeyXNZOFWCSOGDYTL-CYBMUJFWSA-N
MW345.34 g/mol
LogP3.50
Rot. Bonds6

About N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide

N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide (PubChem CID 99981283) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide
PubChem CID99981283
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC[C@@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO3S/c16-15(17,18)22-12-3-1-10(2-4-12)14(21)19-7-5-13(20)11-6-8-23-9-11/h1-4,6,8-9,13,20H,5,7H2,(H,19,21)/t13-/m1/s1
InChIKeyXNZOFWCSOGDYTL-CYBMUJFWSA-N
XLogP3.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084
3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
CID 99981051
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-nitrobenzamide
CID 121132093
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132130
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 72717594
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide (CID 99981283) is N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide is O=C(NCC[C@@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is XNZOFWCSOGDYTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c16-15(17,18)22-12-3-1-10(2-4-12)14(21)19-7-5-13(20)11-6-8-23-9-11/h1-4,6,8-9,13,20H,5,7H2,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide?
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 345.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 99981283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).