5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide

C17H14ClN3O2S — CID 122276713

IUPAC5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-3-2-12(18)8-13(15)17(22)21-9-14-16(20-6-5-19-14)11-4-7-24-10-11/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyRDAHKGPYIWRJLL-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.80
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide

5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide (PubChem CID 122276713) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
PubChem CID122276713
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-3-2-12(18)8-13(15)17(22)21-9-14-16(20-6-5-19-14)11-4-7-24-10-11/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyRDAHKGPYIWRJLL-UHFFFAOYSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276832
6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 122276864
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162320
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276966
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
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266
5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
CID 91967691
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide (CID 122276713) is 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCc1nccnc1-c1ccsc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
The InChIKey is RDAHKGPYIWRJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-23-15-3-2-12(18)8-13(15)17(22)21-9-14-16(20-6-5-19-14)11-4-7-24-10-11/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide has a molecular weight of 359.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122276713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).