N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H17N5OS — CID 864781

IUPACN-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSc1n[nH]c(-c2cccnc2)n1
InChIInChI=1S/C17H17N5OS/c1-2-12-6-3-4-8-14(12)19-15(23)11-24-17-20-16(21-22-17)13-7-5-9-18-10-13/h3-10H,2,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyMNYVYMZCQAPFIR-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.16
Rot. Bonds6

About N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 864781) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID864781
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSc1n[nH]c(-c2cccnc2)n1
InChIInChI=1S/C17H17N5OS/c1-2-12-6-3-4-8-14(12)19-15(23)11-24-17-20-16(21-22-17)13-7-5-9-18-10-13/h3-10H,2,11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyMNYVYMZCQAPFIR-UHFFFAOYSA-N
XLogP3.16
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 864781) is N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1ccccc1NC(=O)CSc1n[nH]c(-c2cccnc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MNYVYMZCQAPFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-2-12-6-3-4-8-14(12)19-15(23)11-24-17-20-16(21-22-17)13-7-5-9-18-10-13/h3-10H,2,11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 864781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).