N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide

C24H22N2O3S — CID 4953015

IUPACN-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
SMILESO=C(NC(=S)N1CCc2ccccc21)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c27-23(25-24(30)26-15-14-18-6-4-5-9-22(18)26)19-10-12-21(13-11-19)29-17-16-28-20-7-2-1-3-8-20/h1-13H,14-17H2,(H,25,27,30)
InChIKeyRHWMMNJKYUYOFJ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.22
Rot. Bonds6

About N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide

N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide (PubChem CID 4953015) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
PubChem CID4953015
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
SMILESO=C(NC(=S)N1CCc2ccccc21)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c27-23(25-24(30)26-15-14-18-6-4-5-9-22(18)26)19-10-12-21(13-11-19)29-17-16-28-20-7-2-1-3-8-20/h1-13H,14-17H2,(H,25,27,30)
InChIKeyRHWMMNJKYUYOFJ-UHFFFAOYSA-N
XLogP4.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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)-4-fluorobenzamide
CID 932733
N-(2,3-dihydroindole-1-carbothioyl)-3-(3-methylbutoxy)benzamide
CID 4981955
N-(azepane-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953016
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide
CID 87108850
N-(2,3-dihydroindole-1-carbothioyl)-3-propan-2-yloxybenzamide
CID 17142661
3-bromo-N-(2,3-dihydroindole-1-carbothioyl)-4-hexoxybenzamide
CID 4959758
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
CID 905190
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide
CID 19188613
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide (CID 4953015) is N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide is O=C(NC(=S)N1CCc2ccccc21)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide?
The InChIKey is RHWMMNJKYUYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c27-23(25-24(30)26-15-14-18-6-4-5-9-22(18)26)19-10-12-21(13-11-19)29-17-16-28-20-7-2-1-3-8-20/h1-13H,14-17H2,(H,25,27,30).
What are the key properties of N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide?
N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide has a molecular weight of 418.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4953015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).