1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide

C22H29N3O3S — CID 20851674

IUPAC1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)Cc1ccccc1
InChIInChI=1S/C22H29N3O3S/c1-3-24(17-19-8-5-4-6-9-19)14-7-13-23-29(27,28)21-10-11-22-20(16-21)12-15-25(22)18(2)26/h4-6,8-11,16,23H,3,7,12-15,17H2,1-2H3
InChIKeyVVJVWUPDYQXOJU-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.79
Rot. Bonds9

About 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 20851674) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID20851674
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)Cc1ccccc1
InChIInChI=1S/C22H29N3O3S/c1-3-24(17-19-8-5-4-6-9-19)14-7-13-23-29(27,28)21-10-11-22-20(16-21)12-15-25(22)18(2)26/h4-6,8-11,16,23H,3,7,12-15,17H2,1-2H3
InChIKeyVVJVWUPDYQXOJU-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide 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-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853293
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853285
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 24510126
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 5323021

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide (CID 20851674) is 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide is CCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)Cc1ccccc1.
What is the InChIKey of 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VVJVWUPDYQXOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-24(17-19-8-5-4-6-9-19)14-7-13-23-29(27,28)21-10-11-22-20(16-21)12-15-25(22)18(2)26/h4-6,8-11,16,23H,3,7,12-15,17H2,1-2H3.
What are the key properties of 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20851674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).