N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H20N4O2S — CID 2747208

IUPACN-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccc(OCc2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C23H20N4O2S/c28-22(25-19-9-5-2-6-10-19)16-30-23-26-24-17-27(23)20-11-13-21(14-12-20)29-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,25,28)
InChIKeyZNMXGXGZRUKIRZ-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.58
Rot. Bonds8

About N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2747208) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2747208
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccc(OCc2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C23H20N4O2S/c28-22(25-19-9-5-2-6-10-19)16-30-23-26-24-17-27(23)20-11-13-21(14-12-20)29-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,25,28)
InChIKeyZNMXGXGZRUKIRZ-UHFFFAOYSA-N
XLogP4.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2747208) is N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is O=C(CSc1nncn1-c1ccc(OCc2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is ZNMXGXGZRUKIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-22(25-19-9-5-2-6-10-19)16-30-23-26-24-17-27(23)20-11-13-21(14-12-20)29-15-18-7-3-1-4-8-18/h1-14,17H,15-16H2,(H,25,28).
What are the key properties of N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 416.51 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2747208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).