N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C12H14N4O2S — CID 707638

IUPACN-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2S/c1-2-18-10-5-3-9(4-6-10)15-11(17)7-19-12-13-8-14-16-12/h3-6,8H,2,7H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyYPPNRHUDHGTUCZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.93
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 707638) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID707638
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2S/c1-2-18-10-5-3-9(4-6-10)15-11(17)7-19-12-13-8-14-16-12/h3-6,8H,2,7H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyYPPNRHUDHGTUCZ-UHFFFAOYSA-N
XLogP1.93
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(2-Methoxyphenyl)-2-(1H-1,2,4-triazol-3-ylthio)acetamide
CID 2254375
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 796220
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 2343308
N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2352685
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-[(4-amino-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 659667
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 707638) is N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CCOc1ccc(NC(=O)CSc2ncn[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is YPPNRHUDHGTUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-18-10-5-3-9(4-6-10)15-11(17)7-19-12-13-8-14-16-12/h3-6,8H,2,7H2,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 707638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).