5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene

C24H32O2S — CID 158116579

IUPAC5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene
SMILESCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc2c1C(C)CC2
InChIInChI=1S/C24H32O2S/c1-17-6-13-22-15-21(14-18(2)23(17)22)12-9-19-7-10-20(11-8-19)16-27(25,26)24(3,4)5/h7-8,10-11,14-15,17H,6,9,12-13,16H2,1-5H3
InChIKeySVSGXOISJQXRPE-UHFFFAOYSA-N
MW384.59 g/mol
LogP5.54
Rot. Bonds5

About 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene

5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene (PubChem CID 158116579) has the molecular formula C24H32O2S and a molecular weight of 384.59 g/mol. Its IUPAC name is 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene
PubChem CID158116579
Molecular FormulaC24H32O2S
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene
SMILESCc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc2c1C(C)CC2
InChIInChI=1S/C24H32O2S/c1-17-6-13-22-15-21(14-18(2)23(17)22)12-9-19-7-10-20(11-8-19)16-27(25,26)24(3,4)5/h7-8,10-11,14-15,17H,6,9,12-13,16H2,1-5H3
InChIKeySVSGXOISJQXRPE-UHFFFAOYSA-N
XLogP5.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylsulfonylmethyl)-4-(2-cyclopropylethyl)benzene
CID 59545292
ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 166534855
N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939258
N-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methanesulfonamide
CID 159770469
5-bromo-1,7-dimethyl-2,3-dihydro-1H-indene
CID 166534603
1-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one
CID 58144332
(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-chlorophenyl]-2,6-dimethylmorpholine
CID 161404706
[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 157333598
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58144314
1,2-dimethyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene;1,7-dimethyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene;2,3-dimethyl-1-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene;1-[2-(4-fluorophenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;3-methyl-1-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]butan-1-one;2-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-(propan-2-ylsulfonylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 158077353
4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide
CID 157187047
[3-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone;[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 159187915

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene (CID 158116579) is 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene is Cc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc2c1C(C)CC2.
What is the InChIKey of 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene?
The InChIKey is SVSGXOISJQXRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2S/c1-17-6-13-22-15-21(14-18(2)23(17)22)12-9-19-7-10-20(11-8-19)16-27(25,26)24(3,4)5/h7-8,10-11,14-15,17H,6,9,12-13,16H2,1-5H3.
What are the key properties of 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene?
5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene has a molecular weight of 384.59 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,7-dimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 158116579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).