N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide

C15H20N4O2S — CID 108733117

IUPACN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCCSc1n[nH]c(NC(=O)COc2cccc(C(C)C)c2)n1
InChIInChI=1S/C15H20N4O2S/c1-4-22-15-17-14(18-19-15)16-13(20)9-21-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyQUCCCORUJLNQEQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.06
Rot. Bonds7

About N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 108733117) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID108733117
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCCSc1n[nH]c(NC(=O)COc2cccc(C(C)C)c2)n1
InChIInChI=1S/C15H20N4O2S/c1-4-22-15-17-14(18-19-15)16-13(20)9-21-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyQUCCCORUJLNQEQ-UHFFFAOYSA-N
XLogP3.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 108733024
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 17420392
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 108733030
3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
CID 108733115
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-oxo-4-phenylbutanamide
CID 108733128
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide (CID 108733117) is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide is CCSc1n[nH]c(NC(=O)COc2cccc(C(C)C)c2)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is QUCCCORUJLNQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-22-15-17-14(18-19-15)16-13(20)9-21-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 320.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 108733117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).