N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide

C17H16N2OS — CID 905190

IUPACN-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1
InChIInChI=1S/C17H16N2OS/c1-12-5-4-7-14(11-12)16(20)18-17(21)19-10-9-13-6-2-3-8-15(13)19/h2-8,11H,9-10H2,1H3,(H,18,20,21)
InChIKeyMZADMQOOVXPXFA-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.07
Rot. Bonds1

About N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide

N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide (PubChem CID 905190) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
PubChem CID905190
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1
InChIInChI=1S/C17H16N2OS/c1-12-5-4-7-14(11-12)16(20)18-17(21)19-10-9-13-6-2-3-8-15(13)19/h2-8,11H,9-10H2,1H3,(H,18,20,21)
InChIKeyMZADMQOOVXPXFA-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide
CID 17142661
N-(2,3-dihydroindole-1-carbothioyl)-3-nitrobenzamide
CID 916839
methyl 4-(2,3-dihydroindole-1-carbothioylcarbamoyl)benzoate
CID 17178494
N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
CID 932733
N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide
CID 4981955
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 110985230
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955256
N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953015
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3-bromo-N-(2,3-dihydroindole-1-carbothioyl)-4-hexoxybenzamide
CID 4959758
N-(3,5-dimethylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 2390455
N-(4-benzhydrylpiperazine-1-carbothioyl)-3-methylbenzamide
CID 4945664

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide (CID 905190) is N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide is Cc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide?
The InChIKey is MZADMQOOVXPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-5-4-7-14(11-12)16(20)18-17(21)19-10-9-13-6-2-3-8-15(13)19/h2-8,11H,9-10H2,1H3,(H,18,20,21).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide?
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide has a molecular weight of 296.40 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide is sourced from PubChem (CID 905190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).