N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C14H15F3N4O2S — CID 1241363

IUPACN-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nnc(C(F)(F)F)n1C
InChIInChI=1S/C14H15F3N4O2S/c1-8-4-5-10(23-3)9(6-8)18-11(22)7-24-13-20-19-12(21(13)2)14(15,16)17/h4-6H,7H2,1-3H3,(H,18,22)
InChIKeyBBIZXRRIIUPEHO-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.88
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 1241363) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID1241363
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nnc(C(F)(F)F)n1C
InChIInChI=1S/C14H15F3N4O2S/c1-8-4-5-10(23-3)9(6-8)18-11(22)7-24-13-20-19-12(21(13)2)14(15,16)17/h4-6H,7H2,1-3H3,(H,18,22)
InChIKeyBBIZXRRIIUPEHO-UHFFFAOYSA-N
XLogP2.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 1241363) is N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSc1nnc(C(F)(F)F)n1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is BBIZXRRIIUPEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c1-8-4-5-10(23-3)9(6-8)18-11(22)7-24-13-20-19-12(21(13)2)14(15,16)17/h4-6H,7H2,1-3H3,(H,18,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 360.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1241363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).