4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol

C139H219NO20S6 — CID 158591009

IUPAC4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol
SMILESCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C3(O)CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3occc3c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(C3(O)CCOCC3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(C3CCOCC3)c2)CC1.Cc1cc(C(=O)NC(C)C)ccc1CCCCCCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/2C24H38O4S.2C24H38O3S.C22H37NO3S.C21H30O3S/c1-23(2,3)29(26,27)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)24(25)14-16-28-17-15-24;1-23(2,3)29(26,27)18-21-11-8-19(9-12-21)7-10-20-5-4-6-22(17-20)24(25)13-15-28-16-14-24;1-24(2,3)28(25,26)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)23-14-16-27-17-15-23;1-24(2,3)28(25,26)18-21-11-8-19(9-12-21)7-10-20-5-4-6-23(17-20)22-13-15-27-16-14-22;1-17(2)23-21(24)20-14-13-19(18(3)16-20)12-10-8-7-9-11-15-27(25,26)22(4,5)6;1-21(2,3)25(22,23)15-18-8-5-16(6-9-18)4-7-17-10-11-20-19(14-17)12-13-24-20/h10-13,19,21,25H,4-9,14-18H2,1-3H3;4-6,17,19,21,25H,7-16,18H2,1-3H3;10-13,19,21,23H,4-9,14-18H2,1-3H3;4-6,17,19,21-22H,7-16,18H2,1-3H3;13-14,16-17H,7-12,15H2,1-6H3,(H,23,24);10-14,16,18H,4-9,15H2,1-3H3
InChIKeyHULDLCKNXZHZKT-UHFFFAOYSA-N
MW2416.67 g/mol
LogP30.56
Rot. Bonds39

About 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol

4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol (PubChem CID 158591009) has the molecular formula C139H219NO20S6 and a molecular weight of 2416.67 g/mol. Its IUPAC name is 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol
PubChem CID158591009
Molecular FormulaC139H219NO20S6
Molecular Weight2416.67 g/mol
Exact Mass2414.45
IUPAC Name4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol
SMILESCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C3(O)CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3occc3c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(C3(O)CCOCC3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(C3CCOCC3)c2)CC1.Cc1cc(C(=O)NC(C)C)ccc1CCCCCCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/2C24H38O4S.2C24H38O3S.C22H37NO3S.C21H30O3S/c1-23(2,3)29(26,27)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)24(25)14-16-28-17-15-24;1-23(2,3)29(26,27)18-21-11-8-19(9-12-21)7-10-20-5-4-6-22(17-20)24(25)13-15-28-16-14-24;1-24(2,3)28(25,26)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)23-14-16-27-17-15-23;1-24(2,3)28(25,26)18-21-11-8-19(9-12-21)7-10-20-5-4-6-23(17-20)22-13-15-27-16-14-22;1-17(2)23-21(24)20-14-13-19(18(3)16-20)12-10-8-7-9-11-15-27(25,26)22(4,5)6;1-21(2,3)25(22,23)15-18-8-5-16(6-9-18)4-7-17-10-11-20-19(14-17)12-13-24-20/h10-13,19,21,25H,4-9,14-18H2,1-3H3;4-6,17,19,21,25H,7-16,18H2,1-3H3;10-13,19,21,23H,4-9,14-18H2,1-3H3;4-6,17,19,21-22H,7-16,18H2,1-3H3;13-14,16-17H,7-12,15H2,1-6H3,(H,23,24);10-14,16,18H,4-9,15H2,1-3H3
InChIKeyHULDLCKNXZHZKT-UHFFFAOYSA-N
XLogP30.56
TPSA324.46 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002416.67
LogP ≤ 530.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol?
The IUPAC name of 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol (CID 158591009) is 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol.
What is the SMILES notation for 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol?
The canonical SMILES for 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol is CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C3(O)CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(C3CCOCC3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3occc3c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(C3(O)CCOCC3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(C3CCOCC3)c2)CC1.Cc1cc(C(=O)NC(C)C)ccc1CCCCCCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol?
The InChIKey is HULDLCKNXZHZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H38O4S.2C24H38O3S.C22H37NO3S.C21H30O3S/c1-23(2,3)29(26,27)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)24(25)14-16-28-17-15-24;1-23(2,3)29(26,27)18-21-11-8-19(9-12-21)7-10-20-5-4-6-22(17-20)24(25)13-15-28-16-14-24;1-24(2,3)28(25,26)18-21-8-6-19(7-9-21)4-5-20-10-12-22(13-11-20)23-14-16-27-17-15-23;1-24(2,3)28(25,26)18-21-11-8-19(9-12-21)7-10-20-5-4-6-23(17-20)22-13-15-27-16-14-22;1-17(2)23-21(24)20-14-13-19(18(3)16-20)12-10-8-7-9-11-15-27(25,26)22(4,5)6;1-21(2,3)25(22,23)15-18-8-5-16(6-9-18)4-7-17-10-11-20-19(14-17)12-13-24-20/h10-13,19,21,25H,4-9,14-18H2,1-3H3;4-6,17,19,21,25H,7-16,18H2,1-3H3;10-13,19,21,23H,4-9,14-18H2,1-3H3;4-6,17,19,21-22H,7-16,18H2,1-3H3;13-14,16-17H,7-12,15H2,1-6H3,(H,23,24);10-14,16,18H,4-9,15H2,1-3H3.
What are the key properties of 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol?
4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol has a molecular weight of 2416.67 g/mol, XLogP of 30.56, 39 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-tert-butylsulfonylheptyl)-3-methyl-N-propan-2-ylbenzamide;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1-benzofuran;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane;4-[3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol;4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxan-4-ol is sourced from PubChem (CID 158591009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).