N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide

C18H13F3N2O2S — CID 91817311

IUPACN-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cncc(-c2cccs2)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)25-15-4-1-3-13(8-15)17(24)23-10-12-7-14(11-22-9-12)16-5-2-6-26-16/h1-9,11H,10H2,(H,23,24)
InChIKeyMSJKRDNTWMRYBK-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.64
Rot. Bonds5

About N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide

N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 91817311) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
PubChem CID91817311
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cncc(-c2cccs2)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)25-15-4-1-3-13(8-15)17(24)23-10-12-7-14(11-22-9-12)16-5-2-6-26-16/h1-9,11H,10H2,(H,23,24)
InChIKeyMSJKRDNTWMRYBK-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

4-tert-butyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 91630658
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 119105177
N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
CID 122163086
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630690
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethoxy)benzamide
CID 121169854
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
CID 25225801
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
1-(2-methoxyphenyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630693
2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide
CID 91630595

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide (CID 91817311) is N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide is O=C(NCc1cncc(-c2cccs2)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is MSJKRDNTWMRYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-18(20,21)25-15-4-1-3-13(8-15)17(24)23-10-12-7-14(11-22-9-12)16-5-2-6-26-16/h1-9,11H,10H2,(H,23,24).
What are the key properties of N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide?
N-[(5-thiophen-2-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-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 91817311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).