N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C20H21ClN2O2S — CID 55790102

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H21ClN2O2S/c1-2-19(24)23-11-9-14-13-15(3-8-18(14)23)20(25)22-10-12-26-17-6-4-16(21)5-7-17/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyZHOQJEGKUWQDHF-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55790102) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55790102
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H21ClN2O2S/c1-2-19(24)23-11-9-14-13-15(3-8-18(14)23)20(25)22-10-12-26-17-6-4-16(21)5-7-17/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyZHOQJEGKUWQDHF-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-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

N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55788549
N-[3-(N-methylanilino)propyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787673
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
1-acetyl-N-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dihydroindole-5-carboxamide
CID 55903162
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109848
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
CID 26769862

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55790102) is N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NCCSc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZHOQJEGKUWQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-2-19(24)23-11-9-14-13-15(3-8-18(14)23)20(25)22-10-12-26-17-6-4-16(21)5-7-17/h3-8,13H,2,9-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 388.92 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55790102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).