N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide

C14H18N4O3S — CID 154796792

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccccc1CC(=O)Nc1nc(C)nn1C
InChIInChI=1S/C14H18N4O3S/c1-4-22(20,21)12-8-6-5-7-11(12)9-13(19)16-14-15-10(2)17-18(14)3/h5-8H,4,9H2,1-3H3,(H,15,16,17,19)
InChIKeyKZDPUJJHDXLCHU-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.10
Rot. Bonds5

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide (PubChem CID 154796792) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide
PubChem CID154796792
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccccc1CC(=O)Nc1nc(C)nn1C
InChIInChI=1S/C14H18N4O3S/c1-4-22(20,21)12-8-6-5-7-11(12)9-13(19)16-14-15-10(2)17-18(14)3/h5-8H,4,9H2,1-3H3,(H,15,16,17,19)
InChIKeyKZDPUJJHDXLCHU-UHFFFAOYSA-N
XLogP1.10
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide (CID 154796792) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccccc1CC(=O)Nc1nc(C)nn1C.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide?
The InChIKey is KZDPUJJHDXLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-4-22(20,21)12-8-6-5-7-11(12)9-13(19)16-14-15-10(2)17-18(14)3/h5-8H,4,9H2,1-3H3,(H,15,16,17,19).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 154796792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).