N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H16N4O3S — CID 2515445

IUPACN-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C15H16N4O3S/c1-9(20)11-4-2-3-5-12(11)16-13(21)8-23-15-18-17-14(22)19(15)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,16,21)(H,17,22)
InChIKeyNIYMRXYHRQALBY-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.84
Rot. Bonds6

About N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2515445) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2515445
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC NameN-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C15H16N4O3S/c1-9(20)11-4-2-3-5-12(11)16-13(21)8-23-15-18-17-14(22)19(15)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,16,21)(H,17,22)
InChIKeyNIYMRXYHRQALBY-UHFFFAOYSA-N
XLogP1.84
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2515445) is N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(=O)c1ccccc1NC(=O)CSc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is NIYMRXYHRQALBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9(20)11-4-2-3-5-12(11)16-13(21)8-23-15-18-17-14(22)19(15)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,16,21)(H,17,22).
What are the key properties of N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2515445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).