4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide

C24H30N2O4S — CID 139008315

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC2CCC3(CCCCC3)O2)cc1
InChIInChI=1S/C24H30N2O4S/c1-18-7-3-4-8-22(18)26-31(28,29)21-11-9-19(10-12-21)23(27)25-17-20-13-16-24(30-20)14-5-2-6-15-24/h3-4,7-12,20,26H,2,5-6,13-17H2,1H3,(H,25,27)
InChIKeyCJVKNMYUBYTISN-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.41
Rot. Bonds6

About 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide

4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide (PubChem CID 139008315) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide
PubChem CID139008315
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC2CCC3(CCCCC3)O2)cc1
InChIInChI=1S/C24H30N2O4S/c1-18-7-3-4-8-22(18)26-31(28,29)21-11-9-19(10-12-21)23(27)25-17-20-13-16-24(30-20)14-5-2-6-15-24/h3-4,7-12,20,26H,2,5-6,13-17H2,1H3,(H,25,27)
InChIKeyCJVKNMYUBYTISN-UHFFFAOYSA-N
XLogP4.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide 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

N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
N-[2-(furan-2-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26795706
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25470615
4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 17461919
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 17467750
4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 25353015
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 42992273

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide (CID 139008315) is 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC2CCC3(CCCCC3)O2)cc1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide?
The InChIKey is CJVKNMYUBYTISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-18-7-3-4-8-22(18)26-31(28,29)21-11-9-19(10-12-21)23(27)25-17-20-13-16-24(30-20)14-5-2-6-15-24/h3-4,7-12,20,26H,2,5-6,13-17H2,1H3,(H,25,27).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide has a molecular weight of 442.58 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-(1-oxaspiro[4.5]decan-2-ylmethyl)benzamide is sourced from PubChem (CID 139008315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).