N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide

C21H28N2O4S — CID 24517235

IUPACN,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cccc(OCCN(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2C)c1
InChIInChI=1S/C21H28N2O4S/c1-15(2)22-28(25,26)19-10-9-17(4)20(14-19)21(24)23(5)11-12-27-18-8-6-7-16(3)13-18/h6-10,13-15,22H,11-12H2,1-5H3
InChIKeyYEQPDZBEGLJZHM-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.14
Rot. Bonds8

About N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide

N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 24517235) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID24517235
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cccc(OCCN(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2C)c1
InChIInChI=1S/C21H28N2O4S/c1-15(2)22-28(25,26)19-10-9-17(4)20(14-19)21(24)23(5)11-12-27-18-8-6-7-16(3)13-18/h6-10,13-15,22H,11-12H2,1-5H3
InChIKeyYEQPDZBEGLJZHM-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)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

2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide
CID 55440414
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26979981
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 27447023
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide
CID 79987863

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 24517235) is N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide is Cc1cccc(OCCN(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2C)c1.
What is the InChIKey of N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is YEQPDZBEGLJZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)22-28(25,26)19-10-9-17(4)20(14-19)21(24)23(5)11-12-27-18-8-6-7-16(3)13-18/h6-10,13-15,22H,11-12H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 24517235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).