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

C17H12F3N3O2S — CID 122163086

IUPACN-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCc1nccnc1-c1cccs1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O2S/c18-17(19,20)25-12-4-1-3-11(9-12)16(24)23-10-13-15(22-7-6-21-13)14-5-2-8-26-14/h1-9H,10H2,(H,23,24)
InChIKeyIMCSERSMNAGCOY-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.03
Rot. Bonds5

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

N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide (PubChem CID 122163086) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
PubChem CID122163086
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC NameN-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(NCc1nccnc1-c1cccs1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O2S/c18-17(19,20)25-12-4-1-3-11(9-12)16(24)23-10-13-15(22-7-6-21-13)14-5-2-8-26-14/h1-9H,10H2,(H,23,24)
InChIKeyIMCSERSMNAGCOY-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
CID 91817311
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethoxy)benzamide
CID 121169854
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
1-(2,6-difluorophenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163125
2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
CID 122163097
N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
CID 25225801
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
CID 119105875
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
CID 119106291

Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide (CID 122163086) is N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide is O=C(NCc1nccnc1-c1cccs1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is IMCSERSMNAGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c18-17(19,20)25-12-4-1-3-11(9-12)16(24)23-10-13-15(22-7-6-21-13)14-5-2-8-26-14/h1-9H,10H2,(H,23,24).
What are the key properties of N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide?
N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 379.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122163086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).