1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide

C22H26N2O2S — CID 20954717

IUPAC1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
SMILESCCCSCCCNC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C22H26N2O2S/c1-2-14-27-15-8-13-23-21(25)20-16-18-11-6-7-12-19(18)24(20)22(26)17-9-4-3-5-10-17/h3-7,9-12,20H,2,8,13-16H2,1H3,(H,23,25)
InChIKeyJTZKXUGJQGECNO-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.91
Rot. Bonds8

About 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide

1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 20954717) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
PubChem CID20954717
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
SMILESCCCSCCCNC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C22H26N2O2S/c1-2-14-27-15-8-13-23-21(25)20-16-18-11-6-7-12-19(18)24(20)22(26)17-9-4-3-5-10-17/h3-7,9-12,20H,2,8,13-16H2,1H3,(H,23,25)
InChIKeyJTZKXUGJQGECNO-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide 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

1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736
1-benzoyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954620
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954591
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
(2S)-1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 92765074
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
CID 95593895

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide (CID 20954717) is 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide is CCCSCCCNC(=O)C1Cc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is JTZKXUGJQGECNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-2-14-27-15-8-13-23-21(25)20-16-18-11-6-7-12-19(18)24(20)22(26)17-9-4-3-5-10-17/h3-7,9-12,20H,2,8,13-16H2,1H3,(H,23,25).
What are the key properties of 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide?
1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).