2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C23H24N4O4S — CID 5308229

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H24N4O4S/c28-22(15-27-23-17(14-24-27)16-31-21-7-3-2-6-20(21)23)25-18-8-10-19(11-9-18)32(29,30)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H,25,28)
InChIKeyCVOMEMHGDKWDTB-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.26
Rot. Bonds5

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 5308229) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID5308229
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H24N4O4S/c28-22(15-27-23-17(14-24-27)16-31-21-7-3-2-6-20(21)23)25-18-8-10-19(11-9-18)32(29,30)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H,25,28)
InChIKeyCVOMEMHGDKWDTB-UHFFFAOYSA-N
XLogP3.26
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 5308229) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is CVOMEMHGDKWDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c28-22(15-27-23-17(14-24-27)16-31-21-7-3-2-6-20(21)23)25-18-8-10-19(11-9-18)32(29,30)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H,25,28).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 452.54 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5308229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).