N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C21H26N2O4S — CID 75871785

IUPACN-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-15-8-9-18(16(2)11-15)13-22-21(24)17-5-3-7-20(12-17)28(25,26)23-14-19-6-4-10-27-19/h3,5,7-9,11-12,19,23H,4,6,10,13-14H2,1-2H3,(H,22,24)
InChIKeyUTQNANHYCNBANB-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.69
Rot. Bonds7

About N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 75871785) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID75871785
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-15-8-9-18(16(2)11-15)13-22-21(24)17-5-3-7-20(12-17)28(25,26)23-14-19-6-4-10-27-19/h3,5,7-9,11-12,19,23H,4,6,10,13-14H2,1-2H3,(H,22,24)
InChIKeyUTQNANHYCNBANB-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethylphenyl)methyl]-3-(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-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46651547
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
N-[(4-bromothiophen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55867907
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 75871785) is N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is UTQNANHYCNBANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-8-9-18(16(2)11-15)13-22-21(24)17-5-3-7-20(12-17)28(25,26)23-14-19-6-4-10-27-19/h3,5,7-9,11-12,19,23H,4,6,10,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 75871785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).