N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

C12H14N4O3S — CID 6460661

IUPACN-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2cn[nH]n2)cc1OC
InChIInChI=1S/C12H14N4O3S/c1-18-9-4-3-8(5-10(9)19-2)14-11(17)7-20-12-6-13-16-15-12/h3-6H,7H2,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyCNXQKLHLZOKBFZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.55
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 6460661) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID6460661
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2cn[nH]n2)cc1OC
InChIInChI=1S/C12H14N4O3S/c1-18-9-4-3-8(5-10(9)19-2)14-11(17)7-20-12-6-13-16-15-12/h3-6H,7H2,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyCNXQKLHLZOKBFZ-UHFFFAOYSA-N
XLogP1.55
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6460388
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-dimethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532477
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
2-(1H-1,2,3-triazol-5-ylthio)-N-(4-methoxyphenyl)acetamide
CID 6492802
2-(1H-1,2,3-triazol-5-ylthio)-N-(2-methoxyphenyl)acetamide
CID 6492804
N-(2,5-dimethoxyphenyl)-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
CID 16477479
N-(1,3-benzodioxol-5-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6458283
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6461176
2-(1H-1,2,3-triazol-5-ylthio)-N-(3-methoxyphenyl)acetamide
CID 6492803

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 6460661) is N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is COc1ccc(NC(=O)CSc2cn[nH]n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is CNXQKLHLZOKBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-18-9-4-3-8(5-10(9)19-2)14-11(17)7-20-12-6-13-16-15-12/h3-6H,7H2,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 294.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 6460661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).