N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

C12H14N4O2S — CID 6460388

IUPACN-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2cn[nH]n2)cc1
InChIInChI=1S/C12H14N4O2S/c1-2-18-10-5-3-9(4-6-10)14-11(17)8-19-12-7-13-16-15-12/h3-7H,2,8H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyJDRNJARLURGNIY-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.93
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 6460388) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID6460388
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2cn[nH]n2)cc1
InChIInChI=1S/C12H14N4O2S/c1-2-18-10-5-3-9(4-6-10)14-11(17)8-19-12-7-13-16-15-12/h3-7H,2,8H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyJDRNJARLURGNIY-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

N-(2-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6460612
N-(2,4-Dimethoxy-phenyl)-2-(3H-[1,2,3]triazol-4-ylsulfanyl)-acetamide
CID 6460240
N-(3,4-Dimethoxy-phenyl)-2-(3H-[1,2,3]triazol-4-ylsulfanyl)-acetamide
CID 6460661
2-{[1-(2-ethoxyphenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-N-(propan-2-yl)acetamide
CID 16649461
2-{[1-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
CID 16649464
1-(2-methoxyphenyl)-3-(2H-triazol-4-ylsulfanyl)pyrrolidin-2-one
CID 121529318
2-(1H-1,2,3-triazol-5-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71296686
N-{4-[chloro(difluoro)methoxy]phenyl}-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
CID 71710605
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
CID 73254483
1-[4-(difluoromethoxy)phenyl]-3-(2H-triazol-4-ylsulfanyl)piperidin-2-one
CID 121568767
(3S)-1-[4-(difluoromethoxy)phenyl]-3-(2H-triazol-4-ylsulfanyl)piperidin-2-one
CID 124591851
(3R)-1-[4-(difluoromethoxy)phenyl]-3-(2H-triazol-4-ylsulfanyl)piperidin-2-one
CID 124591852

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 6460388) is N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is CCOc1ccc(NC(=O)CSc2cn[nH]n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is JDRNJARLURGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-18-10-5-3-9(4-6-10)14-11(17)8-19-12-7-13-16-15-12/h3-7H,2,8H2,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-(4-ethoxyphenyl)-2-(2H-triazol-4-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-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 6460388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).