N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H16N4O2S — CID 2573256

IUPACN-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nncn1-c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-23-15-10-6-5-9-14(15)19-16(22)11-24-17-20-18-12-21(17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyYATXHOZBYGAVKA-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.01
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2573256) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2573256
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nncn1-c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-23-15-10-6-5-9-14(15)19-16(22)11-24-17-20-18-12-21(17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyYATXHOZBYGAVKA-UHFFFAOYSA-N
XLogP3.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2573256) is N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nncn1-c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is YATXHOZBYGAVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-15-10-6-5-9-14(15)19-16(22)11-24-17-20-18-12-21(17)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2573256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).