N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C26H31N3O4S — CID 42917067

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)N(C)C)cc1
InChIInChI=1S/C26H31N3O4S/c1-5-19-13-15-20(16-14-19)24(29(2)3)18-27-26(30)21-9-8-10-22(17-21)34(31,32)28-23-11-6-7-12-25(23)33-4/h6-17,24,28H,5,18H2,1-4H3,(H,27,30)
InChIKeyWEBRAEPSXNKFBQ-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.09
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 42917067) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID42917067
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)N(C)C)cc1
InChIInChI=1S/C26H31N3O4S/c1-5-19-13-15-20(16-14-19)24(29(2)3)18-27-26(30)21-9-8-10-22(17-21)34(31,32)28-23-11-6-7-12-25(23)33-4/h6-17,24,28H,5,18H2,1-4H3,(H,27,30)
InChIKeyWEBRAEPSXNKFBQ-UHFFFAOYSA-N
XLogP4.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]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-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 51114512
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24536279
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621100
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 42917067) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is CCc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is WEBRAEPSXNKFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-5-19-13-15-20(16-14-19)24(29(2)3)18-27-26(30)21-9-8-10-22(17-21)34(31,32)28-23-11-6-7-12-25(23)33-4/h6-17,24,28H,5,18H2,1-4H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 481.62 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 42917067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).