N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide

C21H24N2O2S — CID 4981955

IUPACN-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1
InChIInChI=1S/C21H24N2O2S/c1-15(2)11-13-25-18-8-5-7-17(14-18)20(24)22-21(26)23-12-10-16-6-3-4-9-19(16)23/h3-9,14-15H,10-13H2,1-2H3,(H,22,24,26)
InChIKeyGDXPGCLGRDPJSB-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.19
Rot. Bonds5

About N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide

N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide (PubChem CID 4981955) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide
PubChem CID4981955
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1
InChIInChI=1S/C21H24N2O2S/c1-15(2)11-13-25-18-8-5-7-17(14-18)20(24)22-21(26)23-12-10-16-6-3-4-9-19(16)23/h3-9,14-15H,10-13H2,1-2H3,(H,22,24,26)
InChIKeyGDXPGCLGRDPJSB-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.19
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-propan-2-yloxybenzamide
CID 17142661
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955256
N-(2,3-dihydroindole-1-carbothioyl)-3-nitrobenzamide
CID 916839
N-(2-hydroxypropylcarbamothioyl)-3-(3-methylbutoxy)benzamide
CID 17161969
3-(3-methylbutoxy)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 4982052
5-bromo-N-(2,3-dihydroindole-1-carbothioyl)-2-(2-methylpropoxy)benzamide
CID 17051149
3-(3-methylbutoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4981911
N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
CID 932733
N-(4-methylpiperazine-1-carbothioyl)-3-propoxybenzamide
CID 4960315
3-(3-methylbutoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154914
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-propoxybenzamide
CID 4960395

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide (CID 4981955) is N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide is CC(C)CCOc1cccc(C(=O)NC(=S)N2CCc3ccccc32)c1.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide?
The InChIKey is GDXPGCLGRDPJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15(2)11-13-25-18-8-5-7-17(14-18)20(24)22-21(26)23-12-10-16-6-3-4-9-19(16)23/h3-9,14-15H,10-13H2,1-2H3,(H,22,24,26).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide?
N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide has a molecular weight of 368.50 g/mol, XLogP of 4.19, 5 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-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4981955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).