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

C18H19NO3S — CID 26910884

IUPAC[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H19NO3S/c1-13-11-16-5-3-4-6-17(16)19(13)18(20)15-9-7-14(8-10-15)12-23(2,21)22/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyKUOLJTBGKVORSY-CYBMUJFWSA-N
MW329.42 g/mol
LogP2.82
Rot. Bonds3

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

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone (PubChem CID 26910884) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
PubChem CID26910884
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H19NO3S/c1-13-11-16-5-3-4-6-17(16)19(13)18(20)15-9-7-14(8-10-15)12-23(2,21)22/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyKUOLJTBGKVORSY-CYBMUJFWSA-N
XLogP2.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzenesulfonylmethyl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 55752569
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(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
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 55523351
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 132673892
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-(methylsulfonylmethyl)phenyl]methanone?
The IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone (CID 26910884) is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone is C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone?
The InChIKey is KUOLJTBGKVORSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13-11-16-5-3-4-6-17(16)19(13)18(20)15-9-7-14(8-10-15)12-23(2,21)22/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone?
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone has a molecular weight of 329.42 g/mol, XLogP of 2.82, 3 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-(methylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 26910884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).