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

C15H18N4O2S — CID 864669

IUPACN-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18N4O2S/c1-4-19-11(3)17-18-15(19)22-9-14(21)16-13-7-5-12(6-8-13)10(2)20/h5-8H,4,9H2,1-3H3,(H,16,21)
InChIKeyQLLLZTIXCZGKOX-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.54
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 864669) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID864669
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18N4O2S/c1-4-19-11(3)17-18-15(19)22-9-14(21)16-13-7-5-12(6-8-13)10(2)20/h5-8H,4,9H2,1-3H3,(H,16,21)
InChIKeyQLLLZTIXCZGKOX-UHFFFAOYSA-N
XLogP2.54
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 864669) is N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QLLLZTIXCZGKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-4-19-11(3)17-18-15(19)22-9-14(21)16-13-7-5-12(6-8-13)10(2)20/h5-8H,4,9H2,1-3H3,(H,16,21).
What are the key properties of N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 864669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).