N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C11H12N4O2S — CID 2254375

IUPACN-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C11H12N4O2S/c1-17-9-5-3-2-4-8(9)14-10(16)6-18-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H,14,16)(H,12,13,15)
InChIKeySUBMITMQHDIQCQ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.54
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2254375) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2254375
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C11H12N4O2S/c1-17-9-5-3-2-4-8(9)14-10(16)6-18-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H,14,16)(H,12,13,15)
InChIKeySUBMITMQHDIQCQ-UHFFFAOYSA-N
XLogP1.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2254375) is N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is COc1ccccc1NC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is SUBMITMQHDIQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-17-9-5-3-2-4-8(9)14-10(16)6-18-11-12-7-13-15-11/h2-5,7H,6H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2254375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).