2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide

C25H23FN4O2S — CID 1034770

IUPAC2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1
InChIInChI=1S/C25H23FN4O2S/c1-17(2)32-22-14-7-6-13-21(22)27-23(31)16-33-25-29-28-24(18-9-8-10-19(26)15-18)30(25)20-11-4-3-5-12-20/h3-15,17H,16H2,1-2H3,(H,27,31)
InChIKeyJAQMSMDTSRTYAG-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.59
Rot. Bonds8

About 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide

2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 1034770) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID1034770
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1
InChIInChI=1S/C25H23FN4O2S/c1-17(2)32-22-14-7-6-13-21(22)27-23(31)16-33-25-29-28-24(18-9-8-10-19(26)15-18)30(25)20-11-4-3-5-12-20/h3-15,17H,16H2,1-2H3,(H,27,31)
InChIKeyJAQMSMDTSRTYAG-UHFFFAOYSA-N
XLogP5.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide with MolForge

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 26895022
N-(3-fluorophenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4042404
N-(2-acetylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4852750
N-(2,5-difluorophenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35589853
N-(2-ethylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1317238
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 42992113
N-(2-fluorophenyl)-2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500604
N-(3-chloro-2-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29453101
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1039844
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1023204
N-(4-bromo-2-fluorophenyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 39918486
N-(5-fluoro-2-methylphenyl)-2-[[5-[1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43869473

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide (CID 1034770) is 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is JAQMSMDTSRTYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-17(2)32-22-14-7-6-13-21(22)27-23(31)16-33-25-29-28-24(18-9-8-10-19(26)15-18)30(25)20-11-4-3-5-12-20/h3-15,17H,16H2,1-2H3,(H,27,31).
What are the key properties of 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 1034770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).