6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene

C166H262F6N2O19S11 — CID 157110256

About 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene

6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene (PubChem CID 157110256) has the molecular formula C166H262F6N2O19S11 and a molecular weight of 3056.64 g/mol. Its IUPAC name is 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene
• PubChem CID: 157110256
• Molecular Formula: C166H262F6N2O19S11
• Molecular Weight: 3056.64 g/mol
• Exact Mass: 3053.64
• IUPAC Name: 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene
• SMILES: CC(C)(C)S(=O)(=O)CCCCCCCc1ccc2ccsc2c1.CC(C)(C)S(=O)(=O)CCCCCCCc1cccc(C(F)(F)F)c1.CC1COc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2O1.CC1c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2C(C)C1C.Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc(C(F)(F)F)c1C.Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc2ccsc12.Cc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2scnc12.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1CCCCCCCS(=O)(=O)C(C)(C)C
• InChI: InChI=1S/C26H45NO3S.C23H38O2S.C20H31F3O2S.C20H31NO2S2.C20H32O4S.C20H30O2S2.C19H28O2S2.C18H27F3O2S/c1-19-17-25(27-18-21(3)30-23(5)22(27)4)20(2)16-24(19)14-12-10-9-11-13-15-31(28,29)26(6,7)8;1-17-18(2)21-14-13-20(16-22(21)19(17)3)12-10-8-7-9-11-15-26(24,25)23(4,5)6;1-15-16(2)18(20(21,22)23)13-12-17(15)11-9-7-6-8-10-14-26(24,25)19(3,4)5;1-15-13-17(16(2)19-18(15)21-14-24-19)11-9-7-6-8-10-12-25(22,23)20(3,4)5;1-16-15-23-18-12-11-17(14-19(18)24-16)10-8-6-5-7-9-13-25(21,22)20(2,3)4;1-16-17(11-12-18-13-14-23-19(16)18)10-8-6-5-7-9-15-24(21,22)20(2,3)4;1-19(2,3)23(20,21)14-8-6-4-5-7-9-16-10-11-17-12-13-22-18(17)15-16;1-17(2,3)24(22,23)13-8-6-4-5-7-10-15-11-9-12-16(14-15)18(19,20)21/h16-17,21-23H,9-15,18H2,1-8H3;13-14,16-19H,7-12,15H2,1-6H3;12-13H,6-11,14H2,1-5H3;13-14H,6-12H2,1-5H3;11-12,14,16H,5-10,13,15H2,1-4H3;11-14H,5-10,15H2,1-4H3;10-13,15H,4-9,14H2,1-3H3;9,11-12,14H,4-8,10,13H2,1-3H3/t21-,22?,23+;;;;;;;/m0......./s1
• InChIKey: AGTOEOBQDPGLQI-LTOPMKNISA-N
• XLogP: 45.40
• TPSA: 316.94 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 65
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3056.64
LogP ≤ 5	45.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene?

The IUPAC name of 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene (CID 157110256) is 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene.

What is the SMILES notation for 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene?

The canonical SMILES for 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene is CC(C)(C)S(=O)(=O)CCCCCCCc1ccc2ccsc2c1.CC(C)(C)S(=O)(=O)CCCCCCCc1cccc(C(F)(F)F)c1.CC1COc2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2O1.CC1c2ccc(CCCCCCCS(=O)(=O)C(C)(C)C)cc2C(C)C1C.Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc(C(F)(F)F)c1C.Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc2ccsc12.Cc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2scnc12.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)c(C)cc1CCCCCCCS(=O)(=O)C(C)(C)C.

What is the InChIKey of 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene?

The InChIKey is AGTOEOBQDPGLQI-LTOPMKNISA-N. The full InChI is InChI=1S/C26H45NO3S.C23H38O2S.C20H31F3O2S.C20H31NO2S2.C20H32O4S.C20H30O2S2.C19H28O2S2.C18H27F3O2S/c1-19-17-25(27-18-21(3)30-23(5)22(27)4)20(2)16-24(19)14-12-10-9-11-13-15-31(28,29)26(6,7)8;1-17-18(2)21-14-13-20(16-22(21)19(17)3)12-10-8-7-9-11-15-26(24,25)23(4,5)6;1-15-16(2)18(20(21,22)23)13-12-17(15)11-9-7-6-8-10-14-26(24,25)19(3,4)5;1-15-13-17(16(2)19-18(15)21-14-24-19)11-9-7-6-8-10-12-25(22,23)20(3,4)5;1-16-15-23-18-12-11-17(14-19(18)24-16)10-8-6-5-7-9-13-25(21,22)20(2,3)4;1-16-17(11-12-18-13-14-23-19(16)18)10-8-6-5-7-9-15-24(21,22)20(2,3)4;1-19(2,3)23(20,21)14-8-6-4-5-7-9-16-10-11-17-12-13-22-18(17)15-16;1-17(2,3)24(22,23)13-8-6-4-5-7-10-15-11-9-12-16(14-15)18(19,20)21/h16-17,21-23H,9-15,18H2,1-8H3;13-14,16-19H,7-12,15H2,1-6H3;12-13H,6-11,14H2,1-5H3;13-14H,6-12H2,1-5H3;11-12,14,16H,5-10,13,15H2,1-4H3;11-14H,5-10,15H2,1-4H3;10-13,15H,4-9,14H2,1-3H3;9,11-12,14H,4-8,10,13H2,1-3H3/t21-,22?,23+;;;;;;;/m0......./s1.

What are the key properties of 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene?

6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene has a molecular weight of 3056.64 g/mol, XLogP of 45.40, 65 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-tert-butylsulfonylheptyl)-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-1,3-benzothiazole;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,5-dimethylphenyl]-2,3,6-trimethylmorpholine;1-(7-tert-butylsulfonylheptyl)-2,3-dimethyl-4-(trifluoromethyl)benzene;6-(7-tert-butylsulfonylheptyl)-7-methyl-1-benzothiophene;6-(7-tert-butylsulfonylheptyl)-3-methyl-2,3-dihydro-1,4-benzodioxine;1-(7-tert-butylsulfonylheptyl)-3-(trifluoromethyl)benzene;5-(7-tert-butylsulfonylheptyl)-1,2,3-trimethyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 157110256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).