3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide

C15H20N4O2S — CID 108733115

IUPAC3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
SMILESCCSc1n[nH]c(NC(=O)CCOc2ccc(CC)cc2)n1
InChIInChI=1S/C15H20N4O2S/c1-3-11-5-7-12(8-6-11)21-10-9-13(20)16-14-17-15(19-18-14)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyOHAONSRGKFMQNO-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.89
Rot. Bonds8

About 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide

3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 108733115) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
PubChem CID108733115
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
SMILESCCSc1n[nH]c(NC(=O)CCOc2ccc(CC)cc2)n1
InChIInChI=1S/C15H20N4O2S/c1-3-11-5-7-12(8-6-11)21-10-9-13(20)16-14-17-15(19-18-14)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyOHAONSRGKFMQNO-UHFFFAOYSA-N
XLogP2.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
CID 46741020
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-oxo-4-phenylbutanamide
CID 108733128
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108733113
2-(3,4-dimethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 108733092
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 108733030
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 17420392
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 108733117
(E)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108756561
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911
[4-[3-(4-ethylphenoxy)propanoylamino]phenyl] thiocyanate
CID 108795847
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide (CID 108733115) is 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide is CCSc1n[nH]c(NC(=O)CCOc2ccc(CC)cc2)n1.
What is the InChIKey of 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is OHAONSRGKFMQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-11-5-7-12(8-6-11)21-10-9-13(20)16-14-17-15(19-18-14)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide?
3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 320.42 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 108733115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).