3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide

C21H28N2O4S — CID 26861334

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC(C)C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-16(2)27-14-6-13-22-21(24)18-7-5-8-20(15-18)28(25,26)23(4)19-11-9-17(3)10-12-19/h5,7-12,15-16H,6,13-14H2,1-4H3,(H,22,24)
InChIKeyAPRYUZHTCYJSBW-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.37
Rot. Bonds9

About 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide

3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 26861334) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID26861334
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC(C)C)c2)cc1
InChIInChI=1S/C21H28N2O4S/c1-16(2)27-14-6-13-22-21(24)18-7-5-8-20(15-18)28(25,26)23(4)19-11-9-17(3)10-12-19/h5,7-12,15-16H,6,13-14H2,1-4H3,(H,22,24)
InChIKeyAPRYUZHTCYJSBW-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)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

3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531259
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39130989
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide (CID 26861334) is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC(C)C)c2)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is APRYUZHTCYJSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16(2)27-14-6-13-22-21(24)18-7-5-8-20(15-18)28(25,26)23(4)19-11-9-17(3)10-12-19/h5,7-12,15-16H,6,13-14H2,1-4H3,(H,22,24).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide?
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 26861334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).