2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide

C21H29N3O3S — CID 60552297

IUPAC2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
SMILESCCN(CCCNC(=O)c1ccccc1Nc1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C21H29N3O3S/c1-5-24(28(4,26)27)15-9-14-22-21(25)18-11-6-7-12-20(18)23-19-13-8-10-16(2)17(19)3/h6-8,10-13,23H,5,9,14-15H2,1-4H3,(H,22,25)
InChIKeyYXMWPUSYFRPHFQ-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.45
Rot. Bonds9

About 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide

2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide (PubChem CID 60552297) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
PubChem CID60552297
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
SMILESCCN(CCCNC(=O)c1ccccc1Nc1cccc(C)c1C)S(C)(=O)=O
InChIInChI=1S/C21H29N3O3S/c1-5-24(28(4,26)27)15-9-14-22-21(25)18-11-6-7-12-20(18)23-19-13-8-10-16(2)17(19)3/h6-8,10-13,23H,5,9,14-15H2,1-4H3,(H,22,25)
InChIKeyYXMWPUSYFRPHFQ-UHFFFAOYSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]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-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442
2-(2,3-dimethylanilino)-N-[2-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethyl]benzamide
CID 89000800
2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide
CID 163509812
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide
CID 60517557
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 39964889
N-ethyl-N-[3-[(2-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903438
2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27743019
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide (CID 60552297) is 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide is CCN(CCCNC(=O)c1ccccc1Nc1cccc(C)c1C)S(C)(=O)=O.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide?
The InChIKey is YXMWPUSYFRPHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-5-24(28(4,26)27)15-9-14-22-21(25)18-11-6-7-12-20(18)23-19-13-8-10-16(2)17(19)3/h6-8,10-13,23H,5,9,14-15H2,1-4H3,(H,22,25).
What are the key properties of 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide?
2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide has a molecular weight of 403.55 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide is sourced from PubChem (CID 60552297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).