7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one

C158H210F10O26S8 — CID 157075087

About 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one

7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one (PubChem CID 157075087) has the molecular formula C158H210F10O26S8 and a molecular weight of 2971.91 g/mol. Its IUPAC name is 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one.

Molecular Properties

• Compound Name: 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
• PubChem CID: 157075087
• Molecular Formula: C158H210F10O26S8
• Molecular Weight: 2971.91 g/mol
• Exact Mass: 2969.27
• IUPAC Name: 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
• SMILES: CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)CCC2.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1.CC(C)CC(=O)c1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)CCC2.COc1ccc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C24H36O4S.C21H23F3O3S.C20H24O4S.C20H30O3S.C19H21FO3S.C19H28O3S.C18H25F3O3S.C17H23F3O3S/c1-17(2)14-22(25)20-10-6-18(7-11-20)15-23(26)21-12-8-19(9-13-21)16-29(27,28)24(3,4)5;1-20(2,3)28(26,27)14-16-4-9-17(10-5-16)19(25)13-8-15-6-11-18(12-7-15)21(22,23)24;1-20(2,3)25(22,23)14-16-5-9-17(10-6-16)19(21)13-15-7-11-18(24-4)12-8-15;1-20(2,3)24(22,23)13-6-4-5-10-19(21)15-16-11-12-17-8-7-9-18(17)14-16;1-19(2,3)24(22,23)13-15-4-8-16(9-5-15)18(21)12-14-6-10-17(20)11-7-14;1-15(2)23(21,22)12-5-3-4-9-19(20)14-16-10-11-17-7-6-8-18(17)13-16;1-17(2,3)25(23,24)12-6-4-5-7-16(22)13-14-8-10-15(11-9-14)18(19,20)21;1-13(2)24(22,23)11-5-3-4-6-16(21)12-14-7-9-15(10-8-14)17(18,19)20/h6-7,10-11,17,19,21H,8-9,12-16H2,1-5H3;4-7,9-12H,8,13-14H2,1-3H3;5-12H,13-14H2,1-4H3;11-12,14H,4-10,13,15H2,1-3H3;4-11H,12-13H2,1-3H3;10-11,13,15H,3-9,12,14H2,1-2H3;8-11H,4-7,12-13H2,1-3H3;7-10,13H,3-6,11-12H2,1-2H3
• InChIKey: ACWMRJANTITYKF-UHFFFAOYSA-N
• XLogP: 34.60
• TPSA: 435.98 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 59
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2971.91
LogP ≤ 5	34.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?

The IUPAC name of 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one (CID 157075087) is 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one.

What is the SMILES notation for 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?

The canonical SMILES for 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one is CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)CCC2.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(F)cc2)cc1.CC(C)CC(=O)c1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc(C(F)(F)F)cc1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1ccc2c(c1)CCC2.COc1ccc(CC(=O)c2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1.

What is the InChIKey of 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?

The InChIKey is ACWMRJANTITYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O4S.C21H23F3O3S.C20H24O4S.C20H30O3S.C19H21FO3S.C19H28O3S.C18H25F3O3S.C17H23F3O3S/c1-17(2)14-22(25)20-10-6-18(7-11-20)15-23(26)21-12-8-19(9-13-21)16-29(27,28)24(3,4)5;1-20(2,3)28(26,27)14-16-4-9-17(10-5-16)19(25)13-8-15-6-11-18(12-7-15)21(22,23)24;1-20(2,3)25(22,23)14-16-5-9-17(10-6-16)19(21)13-15-7-11-18(24-4)12-8-15;1-20(2,3)24(22,23)13-6-4-5-10-19(21)15-16-11-12-17-8-7-9-18(17)14-16;1-19(2,3)24(22,23)13-15-4-8-16(9-5-15)18(21)12-14-6-10-17(20)11-7-14;1-15(2)23(21,22)12-5-3-4-9-19(20)14-16-10-11-17-7-6-8-18(17)13-16;1-17(2,3)25(23,24)12-6-4-5-7-16(22)13-14-8-10-15(11-9-14)18(19,20)21;1-13(2)24(22,23)11-5-3-4-6-16(21)12-14-7-9-15(10-8-14)17(18,19)20/h6-7,10-11,17,19,21H,8-9,12-16H2,1-5H3;4-7,9-12H,8,13-14H2,1-3H3;5-12H,13-14H2,1-4H3;11-12,14H,4-10,13,15H2,1-3H3;4-11H,12-13H2,1-3H3;10-11,13,15H,3-9,12,14H2,1-2H3;8-11H,4-7,12-13H2,1-3H3;7-10,13H,3-6,11-12H2,1-2H3.

What are the key properties of 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one?

7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one has a molecular weight of 2971.91 g/mol, XLogP of 34.60, 59 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butylsulfonyl-1-(2,3-dihydro-1H-inden-5-yl)heptan-2-one;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-3-methylbutan-1-one;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-fluorophenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-methoxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one;7-tert-butylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one;1-(2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one;7-propan-2-ylsulfonyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one is sourced from PubChem (CID 157075087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).