2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene

C22H28O2S — CID 159263769

IUPAC2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene
SMILESCC1Cc2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2C1
InChIInChI=1S/C22H28O2S/c1-16(2)25(23,24)15-20-8-5-18(6-9-20)4-7-19-10-11-21-12-17(3)13-22(21)14-19/h5-6,8-11,14,16-17H,4,7,12-13,15H2,1-3H3
InChIKeyAUOVVFURPPUBIX-UHFFFAOYSA-N
MW356.53 g/mol
LogP4.53
Rot. Bonds6

About 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene

2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene (PubChem CID 159263769) has the molecular formula C22H28O2S and a molecular weight of 356.53 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene
PubChem CID159263769
Molecular FormulaC22H28O2S
Molecular Weight356.53 g/mol
Exact Mass356.18
IUPAC Name2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene
SMILESCC1Cc2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2C1
InChIInChI=1S/C22H28O2S/c1-16(2)25(23,24)15-20-8-5-18(6-9-20)4-7-19-10-11-21-12-17(3)13-22(21)14-19/h5-6,8-11,14,16-17H,4,7,12-13,15H2,1-3H3
InChIKeyAUOVVFURPPUBIX-UHFFFAOYSA-N
XLogP4.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145705
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
CID 159128494
N-cyclohexyl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide
CID 158174529
2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
CID 59549855
7-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104140
1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 158134110
4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole
CID 59546068
1-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]pyrrolidin-2-one
CID 158885536
1-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one
CID 58144512
2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145595
2-chloro-1-propan-2-yl-4-(propan-2-ylsulfonylmethyl)benzene
CID 162184316
2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene?
The IUPAC name of 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene (CID 159263769) is 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene is CC1Cc2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2C1.
What is the InChIKey of 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene?
The InChIKey is AUOVVFURPPUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2S/c1-16(2)25(23,24)15-20-8-5-18(6-9-20)4-7-19-10-11-21-12-17(3)13-22(21)14-19/h5-6,8-11,14,16-17H,4,7,12-13,15H2,1-3H3.
What are the key properties of 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene?
2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene has a molecular weight of 356.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 159263769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).