N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide

C18H13F3N2O2S — CID 91630248

IUPACN-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)25-15-5-1-3-12(9-15)17(24)23-10-13-4-2-7-22-16(13)14-6-8-26-11-14/h1-9,11H,10H2,(H,23,24)
InChIKeyYRHCJYLJSBVLHJ-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.64
Rot. Bonds5

About N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide

N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 91630248) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
PubChem CID91630248
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)25-15-5-1-3-12(9-15)17(24)23-10-13-4-2-7-22-16(13)14-6-8-26-11-14/h1-9,11H,10H2,(H,23,24)
InChIKeyYRHCJYLJSBVLHJ-UHFFFAOYSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Osi-930
CID 9868037
N-[4-(chlorodifluoromethoxy)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644841
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814188
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814266
3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
N-hydroxy-5-(5-((2-phenoxyethylamino)methyl)pyridin-2-yl)thiophene-2-carboxamide
CID 11696355
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
3-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 23093997
N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830567
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
CID 60097665
5-Methyl-N-[(2R)-1-oxo-1-[[(3R)-pyrrolidin-3-yl]amino]-3-[6-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]propan-2-yl]-4-propylthiophene-2-carboxamide
CID 91885438
3-((4-(Aminomethyl)pyridin-2-yl)oxy)-N-(benzo[b]thiophen-2-ylmethyl)benzamide hydrochloride
CID 122516222

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide (CID 91630248) is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide is O=C(NCc1cccnc1-c1ccsc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is YRHCJYLJSBVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-18(20,21)25-15-5-1-3-12(9-15)17(24)23-10-13-4-2-7-22-16(13)14-6-8-26-11-14/h1-9,11H,10H2,(H,23,24).
What are the key properties of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide?
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 378.38 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 91630248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).