2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide

C13H14N4O3S — CID 2628255

IUPAC2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nncn1C
InChIInChI=1S/C13H14N4O3S/c1-17-8-14-16-13(17)21-7-11(18)15-12(19)9-5-3-4-6-10(9)20-2/h3-6,8H,7H2,1-2H3,(H,15,18,19)
InChIKeyNLPOPQLJLVHTEH-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.87
Rot. Bonds5

About 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide

2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide (PubChem CID 2628255) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
PubChem CID2628255
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nncn1C
InChIInChI=1S/C13H14N4O3S/c1-17-8-14-16-13(17)21-7-11(18)15-12(19)9-5-3-4-6-10(9)20-2/h3-6,8H,7H2,1-2H3,(H,15,18,19)
InChIKeyNLPOPQLJLVHTEH-UHFFFAOYSA-N
XLogP0.87
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide (CID 2628255) is 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide is COc1ccccc1C(=O)NC(=O)CSc1nncn1C.
What is the InChIKey of 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The InChIKey is NLPOPQLJLVHTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-17-8-14-16-13(17)21-7-11(18)15-12(19)9-5-3-4-6-10(9)20-2/h3-6,8H,7H2,1-2H3,(H,15,18,19).
What are the key properties of 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide has a molecular weight of 306.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 2628255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).