(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C23H21NOS — CID 19916387

IUPAC(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C23H21NOS/c1-17-15-19-11-5-7-13-21(19)24(17)23(25)20-12-6-8-14-22(20)26-16-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3
InChIKeyNLIJALFQRCACSI-UHFFFAOYSA-N
MW359.49 g/mol
LogP5.57
Rot. Bonds4

About (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 19916387) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID19916387
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C23H21NOS/c1-17-15-19-11-5-7-13-21(19)24(17)23(25)20-12-6-8-14-22(20)26-16-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3
InChIKeyNLIJALFQRCACSI-UHFFFAOYSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 112759379
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenylacetate
CID 7874744
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-benzylbenzoate
CID 7809555
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(3-phenylpropylsulfanyl)ethanone
CID 5149446
N-[2-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]methanesulfonamide
CID 41368454

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 19916387) is (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccccc1SCc1ccccc1.
What is the InChIKey of (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is NLIJALFQRCACSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NOS/c1-17-15-19-11-5-7-13-21(19)24(17)23(25)20-12-6-8-14-22(20)26-16-18-9-3-2-4-10-18/h2-14,17H,15-16H2,1H3.
What are the key properties of (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 359.49 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 19916387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).