2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide

C22H18N6O4S — CID 163283539

IUPAC2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide
SMILESCn1ncc2c(NC(=O)C(NS(=O)(=O)c3cccc4nonc34)c3ccccc3)cccc21
InChIInChI=1S/C22H18N6O4S/c1-28-18-11-5-9-16(15(18)13-23-28)24-22(29)20(14-7-3-2-4-8-14)27-33(30,31)19-12-6-10-17-21(19)26-32-25-17/h2-13,20,27H,1H3,(H,24,29)
InChIKeySQBMIXQHRTTZBD-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.77
Rot. Bonds6

About 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide

2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide (PubChem CID 163283539) has the molecular formula C22H18N6O4S and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide
PubChem CID163283539
Molecular FormulaC22H18N6O4S
Molecular Weight462.49 g/mol
Exact Mass462.11
IUPAC Name2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide
SMILESCn1ncc2c(NC(=O)C(NS(=O)(=O)c3cccc4nonc34)c3ccccc3)cccc21
InChIInChI=1S/C22H18N6O4S/c1-28-18-11-5-9-16(15(18)13-23-28)24-22(29)20(14-7-3-2-4-8-14)27-33(30,31)19-12-6-10-17-21(19)26-32-25-17/h2-13,20,27H,1H3,(H,24,29)
InChIKeySQBMIXQHRTTZBD-UHFFFAOYSA-N
XLogP2.77
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[4-[4-[2-(benzotriazol-2-yl)ethyl]triazol-1-yl]phenyl]sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 177375295
3-[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)indazol-5-yl]-N-cyclopropyl-4-methylbenzamide
CID 10479978
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide
CID 163283543
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(6-nitroindazol-1-yl)acetamide
CID 17555822
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide
CID 18151447
N-(1-benzylpyrazol-4-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 22204321
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
CID 39975084
1-[4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-phenyl-2-pyrazol-1-ylethanone
CID 56227822

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide?
The IUPAC name of 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide (CID 163283539) is 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide?
The canonical SMILES for 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide is Cn1ncc2c(NC(=O)C(NS(=O)(=O)c3cccc4nonc34)c3ccccc3)cccc21.
What is the InChIKey of 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide?
The InChIKey is SQBMIXQHRTTZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O4S/c1-28-18-11-5-9-16(15(18)13-23-28)24-22(29)20(14-7-3-2-4-8-14)27-33(30,31)19-12-6-10-17-21(19)26-32-25-17/h2-13,20,27H,1H3,(H,24,29).
What are the key properties of 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide?
2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide has a molecular weight of 462.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(1-methylindazol-4-yl)-2-phenylacetamide is sourced from PubChem (CID 163283539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).