2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

C26H27N5O3S — CID 67463278

IUPAC2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccccc4)N4CCCCC4)cc23)c1
InChIInChI=1S/C26H27N5O3S/c27-35(33,34)21-11-7-10-19(16-21)24-22-17-20(12-13-23(22)29-30-24)28-26(32)25(18-8-3-1-4-9-18)31-14-5-2-6-15-31/h1,3-4,7-13,16-17,25H,2,5-6,14-15H2,(H,28,32)(H,29,30)(H2,27,33,34)
InChIKeyOYNOTANVUQGHGT-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.04
Rot. Bonds6

About 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (PubChem CID 67463278) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
PubChem CID67463278
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccccc4)N4CCCCC4)cc23)c1
InChIInChI=1S/C26H27N5O3S/c27-35(33,34)21-11-7-10-19(16-21)24-22-17-20(12-13-23(22)29-30-24)28-26(32)25(18-8-3-1-4-9-18)31-14-5-2-6-15-31/h1,3-4,7-13,16-17,25H,2,5-6,14-15H2,(H,28,32)(H,29,30)(H2,27,33,34)
InChIKeyOYNOTANVUQGHGT-UHFFFAOYSA-N
XLogP4.04
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (CID 67463278) is 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccccc4)N4CCCCC4)cc23)c1.
What is the InChIKey of 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The InChIKey is OYNOTANVUQGHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c27-35(33,34)21-11-7-10-19(16-21)24-22-17-20(12-13-23(22)29-30-24)28-26(32)25(18-8-3-1-4-9-18)31-14-5-2-6-15-31/h1,3-4,7-13,16-17,25H,2,5-6,14-15H2,(H,28,32)(H,29,30)(H2,27,33,34).
What are the key properties of 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide has a molecular weight of 489.60 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 67463278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).