N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C18H14F3N3OS — CID 122276862

IUPACN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)14-3-1-12(2-4-14)9-16(25)24-10-15-17(23-7-6-22-15)13-5-8-26-11-13/h1-8,11H,9-10H2,(H,24,25)
InChIKeyUCPAVDUKAFGJFL-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.08
Rot. Bonds5

About N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 122276862) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID122276862
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC NameN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)14-3-1-12(2-4-14)9-16(25)24-10-15-17(23-7-6-22-15)13-5-8-26-11-13/h1-8,11H,9-10H2,(H,24,25)
InChIKeyUCPAVDUKAFGJFL-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121198894
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276832
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276965
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276966
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122162281
(E)-3-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]prop-2-enamide
CID 122162269

Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 122276862) is N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCc1nccnc1-c1ccsc1.
What is the InChIKey of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UCPAVDUKAFGJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c19-18(20,21)14-3-1-12(2-4-14)9-16(25)24-10-15-17(23-7-6-22-15)13-5-8-26-11-13/h1-8,11H,9-10H2,(H,24,25).
What are the key properties of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122276862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).