[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone

C24H23NO2S — CID 28578257

IUPAC[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C24H23NO2S/c1-18-17-20-7-5-6-10-23(20)25(18)24(26)19-11-13-21(14-12-19)27-15-16-28-22-8-3-2-4-9-22/h2-14,18H,15-17H2,1H3/t18-/m1/s1
InChIKeyNMGVOSFCQZPXEF-GOSISDBHSA-N
MW389.52 g/mol
LogP5.45
Rot. Bonds6

About [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone (PubChem CID 28578257) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone
PubChem CID28578257
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C24H23NO2S/c1-18-17-20-7-5-6-10-23(20)25(18)24(26)19-11-13-21(14-12-19)27-15-16-28-22-8-3-2-4-9-22/h2-14,18H,15-17H2,1H3/t18-/m1/s1
InChIKeyNMGVOSFCQZPXEF-GOSISDBHSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 737594
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone
CID 28633427
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569
ethyl 4-[4-(2-phenylsulfanylethoxy)benzoyl]piperazine-1-carboxylate
CID 38002375
[3-[(4-chlorophenoxy)methyl]phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 1002513
N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 48845425

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone?
The IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone (CID 28578257) is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone.
What is the SMILES notation for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone?
The canonical SMILES for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone is C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone?
The InChIKey is NMGVOSFCQZPXEF-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-18-17-20-7-5-6-10-23(20)25(18)24(26)19-11-13-21(14-12-19)27-15-16-28-22-8-3-2-4-9-22/h2-14,18H,15-17H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone?
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone has a molecular weight of 389.52 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone is sourced from PubChem (CID 28578257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).