2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide

C13H14F2N4O5S — CID 166246553

IUPAC2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide
SMILESCOc1ccc(CC(=O)NS(=O)(=O)c2cnnn2C)cc1OC(F)F
InChIInChI=1S/C13H14F2N4O5S/c1-19-12(7-16-18-19)25(21,22)17-11(20)6-8-3-4-9(23-2)10(5-8)24-13(14)15/h3-5,7,13H,6H2,1-2H3,(H,17,20)
InChIKeySDNREXGYWZVOFX-UHFFFAOYSA-N
MW376.34 g/mol
LogP0.47
Rot. Bonds7

About 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide

2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide (PubChem CID 166246553) has the molecular formula C13H14F2N4O5S and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide
PubChem CID166246553
Molecular FormulaC13H14F2N4O5S
Molecular Weight376.34 g/mol
Exact Mass376.07
IUPAC Name2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide
SMILESCOc1ccc(CC(=O)NS(=O)(=O)c2cnnn2C)cc1OC(F)F
InChIInChI=1S/C13H14F2N4O5S/c1-19-12(7-16-18-19)25(21,22)17-11(20)6-8-3-4-9(23-2)10(5-8)24-13(14)15/h3-5,7,13H,6H2,1-2H3,(H,17,20)
InChIKeySDNREXGYWZVOFX-UHFFFAOYSA-N
XLogP0.47
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685647
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
ethyl 5-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2H-triazole-4-carboxylate
CID 91252854
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55564863
4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide
CID 71894451
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
4-bromo-5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpyridazin-3-one
CID 133303379
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
CID 61212743
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55653319
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 34623549

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide?
The IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide (CID 166246553) is 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide?
The canonical SMILES for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide is COc1ccc(CC(=O)NS(=O)(=O)c2cnnn2C)cc1OC(F)F.
What is the InChIKey of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide?
The InChIKey is SDNREXGYWZVOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O5S/c1-19-12(7-16-18-19)25(21,22)17-11(20)6-8-3-4-9(23-2)10(5-8)24-13(14)15/h3-5,7,13H,6H2,1-2H3,(H,17,20).
What are the key properties of 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide?
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide has a molecular weight of 376.34 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(3-methyltriazol-4-yl)sulfonylacetamide is sourced from PubChem (CID 166246553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).