4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C21H22N4O4S2 — CID 5310495

IUPAC4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-25(13-16-5-4-12-29-16)31(27,28)17-9-7-15(8-10-17)20(26)24-21-23-19(14-30-21)18-6-2-3-11-22-18/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,23,24,26)
InChIKeyXKRBHZWWSRIWNU-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.26
Rot. Bonds7

About 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 5310495) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID5310495
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC Name4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-25(13-16-5-4-12-29-16)31(27,28)17-9-7-15(8-10-17)20(26)24-21-23-19(14-30-21)18-6-2-3-11-22-18/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,23,24,26)
InChIKeyXKRBHZWWSRIWNU-UHFFFAOYSA-N
XLogP3.26
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 5310495) is 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XKRBHZWWSRIWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-25(13-16-5-4-12-29-16)31(27,28)17-9-7-15(8-10-17)20(26)24-21-23-19(14-30-21)18-6-2-3-11-22-18/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,23,24,26).
What are the key properties of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 458.57 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5310495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).