3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide

C22H31N3O3S — CID 27897925

IUPAC3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
SMILESCCN(CCCNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1
InChIInChI=1S/C22H31N3O3S/c1-4-24(20-13-8-7-9-14-20)17-11-16-23-22(26)19-12-10-15-21(18-19)29(27,28)25(5-2)6-3/h7-10,12-15,18H,4-6,11,16-17H2,1-3H3,(H,23,26)
InChIKeyRKGSLPMNLNNAJO-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.36
Rot. Bonds11

About 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide

3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide (PubChem CID 27897925) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
PubChem CID27897925
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
SMILESCCN(CCCNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1
InChIInChI=1S/C22H31N3O3S/c1-4-24(20-13-8-7-9-14-20)17-11-16-23-22(26)19-12-10-15-21(18-19)29(27,28)25(5-2)6-3/h7-10,12-15,18H,4-6,11,16-17H2,1-3H3,(H,23,26)
InChIKeyRKGSLPMNLNNAJO-UHFFFAOYSA-N
XLogP3.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)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-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
N-[3-(N-ethylanilino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332368
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879
3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
CID 31591035
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
CID 37245133
3-[butyl(phenyl)sulfamoyl]-N-[2-(methylamino)ethyl]benzamide
CID 119502227
N-(2-aminoethyl)-3-[butyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119383856
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide (CID 27897925) is 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide is CCN(CCCNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)c1ccccc1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide?
The InChIKey is RKGSLPMNLNNAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-4-24(20-13-8-7-9-14-20)17-11-16-23-22(26)19-12-10-15-21(18-19)29(27,28)25(5-2)6-3/h7-10,12-15,18H,4-6,11,16-17H2,1-3H3,(H,23,26).
What are the key properties of 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide?
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide has a molecular weight of 417.58 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide is sourced from PubChem (CID 27897925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).