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

C14H18N4OS — CID 6469698

IUPAC2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(CCc2ccccc2)nnc1SCC(N)=O
InChIInChI=1S/C14H18N4OS/c1-2-18-13(9-8-11-6-4-3-5-7-11)16-17-14(18)20-10-12(15)19/h3-7H,2,8-10H2,1H3,(H2,15,19)
InChIKeyJEXLBXPLAXEZFF-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.66
Rot. Bonds7

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

2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 6469698) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID6469698
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(CCc2ccccc2)nnc1SCC(N)=O
InChIInChI=1S/C14H18N4OS/c1-2-18-13(9-8-11-6-4-3-5-7-11)16-17-14(18)20-10-12(15)19/h3-7H,2,8-10H2,1H3,(H2,15,19)
InChIKeyJEXLBXPLAXEZFF-UHFFFAOYSA-N
XLogP1.66
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 6469698) is 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(CCc2ccccc2)nnc1SCC(N)=O.
What is the InChIKey of 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is JEXLBXPLAXEZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-18-13(9-8-11-6-4-3-5-7-11)16-17-14(18)20-10-12(15)19/h3-7H,2,8-10H2,1H3,(H2,15,19).
What are the key properties of 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 6469698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).