2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H22N4O3S — CID 37244507

IUPAC2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H22N4O3S/c1-12-5-7-15(8-6-12)9-10-25(23,24)18-11-16(22)19-17-13(2)20-21(4)14(17)3/h5-10,18H,11H2,1-4H3,(H,19,22)/b10-9+
InChIKeyOVECTDRUWZOYAZ-MDZDMXLPSA-N
MW362.46 g/mol
LogP1.87
Rot. Bonds6

About 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 37244507) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID37244507
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H22N4O3S/c1-12-5-7-15(8-6-12)9-10-25(23,24)18-11-16(22)19-17-13(2)20-21(4)14(17)3/h5-10,18H,11H2,1-4H3,(H,19,22)/b10-9+
InChIKeyOVECTDRUWZOYAZ-MDZDMXLPSA-N
XLogP1.87
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 37244507) is 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is OVECTDRUWZOYAZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-5-7-15(8-6-12)9-10-25(23,24)18-11-16(22)19-17-13(2)20-21(4)14(17)3/h5-10,18H,11H2,1-4H3,(H,19,22)/b10-9+.
What are the key properties of 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 37244507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).