N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C20H24N2O4S — CID 109060029

IUPACN-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-5-3-6-15(2)19(14)22-20(23)16-8-10-18(11-9-16)27(24,25)21-13-17-7-4-12-26-17/h3,5-6,8-11,17,21H,4,7,12-13H2,1-2H3,(H,22,23)
InChIKeyXWESIVAFICSCCV-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.01
Rot. Bonds6

About N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 109060029) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID109060029
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-5-3-6-15(2)19(14)22-20(23)16-8-10-18(11-9-16)27(24,25)21-13-17-7-4-12-26-17/h3,5-6,8-11,17,21H,4,7,12-13H2,1-2H3,(H,22,23)
InChIKeyXWESIVAFICSCCV-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)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-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 25490032
N-(2-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428408
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
methyl 2-hydroxy-3-[[4-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
CID 56543442
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-(4-morpholin-4-ylphenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41094823
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55849060

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 109060029) is N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is Cc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is XWESIVAFICSCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-5-3-6-15(2)19(14)22-20(23)16-8-10-18(11-9-16)27(24,25)21-13-17-7-4-12-26-17/h3,5-6,8-11,17,21H,4,7,12-13H2,1-2H3,(H,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109060029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).