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

C20H22N4O2S — CID 16649464

IUPAC2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCOc1ccc(-n2nncc2SCC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H22N4O2S/c1-15(2)23(16-7-5-4-6-8-16)19(25)14-27-20-13-21-22-24(20)17-9-11-18(26-3)12-10-17/h4-13,15H,14H2,1-3H3
InChIKeyBOVJMWWKMRNQGL-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.81
Rot. Bonds7

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

2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide (PubChem CID 16649464) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
PubChem CID16649464
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCOc1ccc(-n2nncc2SCC(=O)N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H22N4O2S/c1-15(2)23(16-7-5-4-6-8-16)19(25)14-27-20-13-21-22-24(20)17-9-11-18(26-3)12-10-17/h4-13,15H,14H2,1-3H3
InChIKeyBOVJMWWKMRNQGL-UHFFFAOYSA-N
XLogP3.81
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide (CID 16649464) is 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide is COc1ccc(-n2nncc2SCC(=O)N(c2ccccc2)C(C)C)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is BOVJMWWKMRNQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-15(2)23(16-7-5-4-6-8-16)19(25)14-27-20-13-21-22-24(20)17-9-11-18(26-3)12-10-17/h4-13,15H,14H2,1-3H3.
What are the key properties of 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide?
2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 382.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)triazol-4-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 16649464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).