3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide

C22H25N3O4S — CID 122276832

IUPAC3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2nccnc2-c2ccsc2)cc(OCC)c1OCC
InChIInChI=1S/C22H25N3O4S/c1-4-27-18-11-16(12-19(28-5-2)21(18)29-6-3)22(26)25-13-17-20(24-9-8-23-17)15-7-10-30-14-15/h7-12,14H,4-6,13H2,1-3H3,(H,25,26)
InChIKeyDRUMZUOHBWDTSE-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.33
Rot. Bonds10

About 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide

3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide (PubChem CID 122276832) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
PubChem CID122276832
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2nccnc2-c2ccsc2)cc(OCC)c1OCC
InChIInChI=1S/C22H25N3O4S/c1-4-27-18-11-16(12-19(28-5-2)21(18)29-6-3)22(26)25-13-17-20(24-9-8-23-17)15-7-10-30-14-15/h7-12,14H,4-6,13H2,1-3H3,(H,25,26)
InChIKeyDRUMZUOHBWDTSE-UHFFFAOYSA-N
XLogP4.33
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198864
6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 122276864
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276713
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122276862
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1H-indole-2-carboxamide
CID 122162306
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162320

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide (CID 122276832) is 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide is CCOc1cc(C(=O)NCc2nccnc2-c2ccsc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The InChIKey is DRUMZUOHBWDTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-4-27-18-11-16(12-19(28-5-2)21(18)29-6-3)22(26)25-13-17-20(24-9-8-23-17)15-7-10-30-14-15/h7-12,14H,4-6,13H2,1-3H3,(H,25,26).
What are the key properties of 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide has a molecular weight of 427.53 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122276832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).