3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide

C18H15ClN2OS — CID 926897

IUPAC3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NC(=S)N1CCc2ccccc21
InChIInChI=1S/C18H15ClN2OS/c19-15-7-3-1-5-13(15)9-10-17(22)20-18(23)21-12-11-14-6-2-4-8-16(14)21/h1-10H,11-12H2,(H,20,22,23)
InChIKeyASVWGMQOCHPKGC-UHFFFAOYSA-N
MW342.85 g/mol
LogP3.82
Rot. Bonds2

About 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide

3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide (PubChem CID 926897) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide
PubChem CID926897
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NC(=S)N1CCc2ccccc21
InChIInChI=1S/C18H15ClN2OS/c19-15-7-3-1-5-13(15)9-10-17(22)20-18(23)21-12-11-14-6-2-4-8-16(14)21/h1-10H,11-12H2,(H,20,22,23)
InChIKeyASVWGMQOCHPKGC-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide 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-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 3481190
(E)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-phenylprop-2-enamide
CID 905163
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
CID 905190
N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
CID 932733
3-(2-chlorophenyl)-N-(diethylcarbamothioyl)prop-2-enamide
CID 4508506
N-(2,3-dihydroindole-1-carbothioyl)-3-nitrobenzamide
CID 916839
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
methyl 4-(2,3-dihydroindole-1-carbothioylcarbamoyl)benzoate
CID 17178494
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 4938046
3-(2-chlorophenyl)-N-[(4-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 927011
3-(2-chlorophenyl)-N-(3-hydroxypropylcarbamothioyl)prop-2-enamide
CID 4927202
N-[(4-acetamidophenyl)carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 4507849

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide (CID 926897) is 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)NC(=S)N1CCc2ccccc21.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide?
The InChIKey is ASVWGMQOCHPKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-15-7-3-1-5-13(15)9-10-17(22)20-18(23)21-12-11-14-6-2-4-8-16(14)21/h1-10H,11-12H2,(H,20,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide?
3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide has a molecular weight of 342.85 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2,3-dihydroindole-1-carbothioyl)prop-2-enamide is sourced from PubChem (CID 926897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).