2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium

C21H30N3O3S+ — CID 9315050

IUPAC2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-24(6-2)15-14-22-21(25)18-10-12-19(13-11-18)28(26,27)23-20-9-7-8-16(3)17(20)4/h7-13,23H,5-6,14-15H2,1-4H3,(H,22,25)/p+1
InChIKeyAHNINGCVBDTPNK-UHFFFAOYSA-O
MW404.56 g/mol
LogP1.76
Rot. Bonds9

About 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium

2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium (PubChem CID 9315050) has the molecular formula C21H30N3O3S+ and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
PubChem CID9315050
Molecular FormulaC21H30N3O3S+
Molecular Weight404.56 g/mol
Exact Mass404.20
IUPAC Name2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-24(6-2)15-14-22-21(25)18-10-12-19(13-11-18)28(26,27)23-20-9-7-8-16(3)17(20)4/h7-13,23H,5-6,14-15H2,1-4H3,(H,22,25)/p+1
InChIKeyAHNINGCVBDTPNK-UHFFFAOYSA-O
XLogP1.76
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium 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-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 55348950
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223202
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574259
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109059730
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-[2-(dimethylamino)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109064098
4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388218

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium (CID 9315050) is 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium?
The InChIKey is AHNINGCVBDTPNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29N3O3S/c1-5-24(6-2)15-14-22-21(25)18-10-12-19(13-11-18)28(26,27)23-20-9-7-8-16(3)17(20)4/h7-13,23H,5-6,14-15H2,1-4H3,(H,22,25)/p+1.
What are the key properties of 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium?
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium has a molecular weight of 404.56 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 9315050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).