N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide

C14H16N4O3S — CID 9473869

IUPACN-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
SMILESCCn1cnnc1SCC(=O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C14H16N4O3S/c1-3-18-8-15-17-14(18)22-7-13(21)10-4-5-12(20)11(6-10)16-9(2)19/h4-6,8,20H,3,7H2,1-2H3,(H,16,19)
InChIKeyQHUCXNYPBIBMSU-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.94
Rot. Bonds6

About N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide

N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide (PubChem CID 9473869) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
PubChem CID9473869
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
SMILESCCn1cnnc1SCC(=O)c1ccc(O)c(NC(C)=O)c1
InChIInChI=1S/C14H16N4O3S/c1-3-18-8-15-17-14(18)22-7-13(21)10-4-5-12(20)11(6-10)16-9(2)19/h4-6,8,20H,3,7H2,1-2H3,(H,16,19)
InChIKeyQHUCXNYPBIBMSU-UHFFFAOYSA-N
XLogP1.94
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide
CID 33295230
N-[5-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
CID 9381597
N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide
CID 17411757
1-[4-(4-bromophenyl)phenyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 18203578
N-[2-methylsulfanyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 47045881
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 9379491
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 8987730
ethane;methyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 145426471
N-(4-chloro-2-fluorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8987716
N-(4-chloro-2-methylphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8987897
N-[4-[2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 9457444

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide?
The IUPAC name of N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide (CID 9473869) is N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide?
The canonical SMILES for N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide is CCn1cnnc1SCC(=O)c1ccc(O)c(NC(C)=O)c1.
What is the InChIKey of N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide?
The InChIKey is QHUCXNYPBIBMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-3-18-8-15-17-14(18)22-7-13(21)10-4-5-12(20)11(6-10)16-9(2)19/h4-6,8,20H,3,7H2,1-2H3,(H,16,19).
What are the key properties of N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide?
N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 9473869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).