2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide

C15H20N4O2S — CID 16649461

IUPAC2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCCOc1ccccc1-n1nncc1SCC(=O)NC(C)C
InChIInChI=1S/C15H20N4O2S/c1-4-21-13-8-6-5-7-12(13)19-15(9-16-18-19)22-10-14(20)17-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,20)
InChIKeyVEUKMTRZORPALH-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.28
Rot. Bonds7

About 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide

2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 16649461) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide
PubChem CID16649461
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCCOc1ccccc1-n1nncc1SCC(=O)NC(C)C
InChIInChI=1S/C15H20N4O2S/c1-4-21-13-8-6-5-7-12(13)19-15(9-16-18-19)22-10-14(20)17-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,20)
InChIKeyVEUKMTRZORPALH-UHFFFAOYSA-N
XLogP2.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide (CID 16649461) is 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide is CCOc1ccccc1-n1nncc1SCC(=O)NC(C)C.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is VEUKMTRZORPALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-21-13-8-6-5-7-12(13)19-15(9-16-18-19)22-10-14(20)17-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,20).
What are the key properties of 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide?
2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 320.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)triazol-4-yl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 16649461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).