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

C18H19N5OS — CID 663353

IUPACN-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1
InChIInChI=1S/C18H19N5OS/c1-3-13-7-9-14(10-8-13)20-16(24)12-25-18-22-21-17(23(18)2)15-6-4-5-11-19-15/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKeyMXPBRFNUVQVTOI-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.17
Rot. Bonds6

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

N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 663353) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID663353
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1
InChIInChI=1S/C18H19N5OS/c1-3-13-7-9-14(10-8-13)20-16(24)12-25-18-22-21-17(23(18)2)15-6-4-5-11-19-15/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKeyMXPBRFNUVQVTOI-UHFFFAOYSA-N
XLogP3.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 663353) is N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MXPBRFNUVQVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-3-13-7-9-14(10-8-13)20-16(24)12-25-18-22-21-17(23(18)2)15-6-4-5-11-19-15/h4-11H,3,12H2,1-2H3,(H,20,24).
What are the key properties of N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 663353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).