N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide

C19H20N2O2S — CID 17142661

IUPACN-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1
InChIInChI=1S/C19H20N2O2S/c1-13(2)23-16-8-5-7-15(12-16)18(22)20-19(24)21-11-10-14-6-3-4-9-17(14)21/h3-9,12-13H,10-11H2,1-2H3,(H,20,22,24)
InChIKeyHNKGBPNUGJMBIS-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.55
Rot. Bonds3

About N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide

N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide (PubChem CID 17142661) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide
PubChem CID17142661
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1
InChIInChI=1S/C19H20N2O2S/c1-13(2)23-16-8-5-7-15(12-16)18(22)20-19(24)21-11-10-14-6-3-4-9-17(14)21/h3-9,12-13H,10-11H2,1-2H3,(H,20,22,24)
InChIKeyHNKGBPNUGJMBIS-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methylbutoxy)benzamide
CID 4981955
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
CID 905190
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955256
methyl 4-(2,3-dihydroindole-1-carbothioylcarbamoyl)benzoate
CID 17178494
N-(2,3-dihydroindole-1-carbothioyl)-3-nitrobenzamide
CID 916839
N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953015
N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
CID 932733
3-bromo-N-(2,3-dihydroindole-1-carbothioyl)-4-hexoxybenzamide
CID 4959758
N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
CID 823875
5-bromo-N-(2,3-dihydroindole-1-carbothioyl)-2-(2-methylpropoxy)benzamide
CID 17051149
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide (CID 17142661) is N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide?
The InChIKey is HNKGBPNUGJMBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13(2)23-16-8-5-7-15(12-16)18(22)20-19(24)21-11-10-14-6-3-4-9-17(14)21/h3-9,12-13H,10-11H2,1-2H3,(H,20,22,24).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide?
N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide has a molecular weight of 340.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17142661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).