N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide

C22H29N3O3S — CID 4875205

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2CCc3ccccc32)ccc1C
InChIInChI=1S/C22H29N3O3S/c1-5-24(6-2)29(27,28)21-15-19(12-11-16(21)3)23-22(26)17(4)25-14-13-18-9-7-8-10-20(18)25/h7-12,15,17H,5-6,13-14H2,1-4H3,(H,23,26)
InChIKeyZOIXWQTVJAZPNB-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.42
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide (PubChem CID 4875205) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide
PubChem CID4875205
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2CCc3ccccc32)ccc1C
InChIInChI=1S/C22H29N3O3S/c1-5-24(6-2)29(27,28)21-15-19(12-11-16(21)3)23-22(26)17(4)25-14-13-18-9-7-8-10-20(18)25/h7-12,15,17H,5-6,13-14H2,1-4H3,(H,23,26)
InChIKeyZOIXWQTVJAZPNB-UHFFFAOYSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide (CID 4875205) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2CCc3ccccc32)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The InChIKey is ZOIXWQTVJAZPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-5-24(6-2)29(27,28)21-15-19(12-11-16(21)3)23-22(26)17(4)25-14-13-18-9-7-8-10-20(18)25/h7-12,15,17H,5-6,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide has a molecular weight of 415.56 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 4875205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).