5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine

C87H135N7O9S3 — CID 159677322

IUPAC5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine
SMILESCc1c(S(=O)(=O)N2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCC2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cc(OCC(C)C)nc(C(C)(C)C)c2)n1CC1CCCCC1
InChIInChI=1S/C32H50N2O3S.C30H46N2O3S.C25H39N3O3S/c1-23-30(38(35,36)33-21-24-13-15-37-16-14-24)20-29(34(23)22-25-11-9-8-10-12-25)26-17-27(31(2,3)4)19-28(18-26)32(5,6)7;1-22-28(36(33,34)31-13-15-35-16-14-31)20-27(32(22)21-23-11-9-8-10-12-23)24-17-25(29(2,3)4)19-26(18-24)30(5,6)7;1-17(2)16-31-24-13-20(12-23(27-24)25(4,5)6)21-14-22(32(26,29)30)18(3)28(21)15-19-10-8-7-9-11-19/h17-20,24-25,33H,8-16,21-22H2,1-7H3;17-20,23H,8-16,21H2,1-7H3;12-14,17,19H,7-11,15-16H2,1-6H3,(H2,26,29,30)
InChIKeyMUTOUSZWIUFHHK-UHFFFAOYSA-N
MW1519.28 g/mol
LogP19.42
Rot. Bonds19

About 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine

5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine (PubChem CID 159677322) has the molecular formula C87H135N7O9S3 and a molecular weight of 1519.28 g/mol. Its IUPAC name is 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine
PubChem CID159677322
Molecular FormulaC87H135N7O9S3
Molecular Weight1519.28 g/mol
Exact Mass1517.95
IUPAC Name5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine
SMILESCc1c(S(=O)(=O)N2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCC2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cc(OCC(C)C)nc(C(C)(C)C)c2)n1CC1CCCCC1
InChIInChI=1S/C32H50N2O3S.C30H46N2O3S.C25H39N3O3S/c1-23-30(38(35,36)33-21-24-13-15-37-16-14-24)20-29(34(23)22-25-11-9-8-10-12-25)26-17-27(31(2,3)4)19-28(18-26)32(5,6)7;1-22-28(36(33,34)31-13-15-35-16-14-31)20-27(32(22)21-23-11-9-8-10-12-23)24-17-25(29(2,3)4)19-26(18-24)30(5,6)7;1-17(2)16-31-24-13-20(12-23(27-24)25(4,5)6)21-14-22(32(26,29)30)18(3)28(21)15-19-10-8-7-9-11-19/h17-20,24-25,33H,8-16,21-22H2,1-7H3;17-20,23H,8-16,21H2,1-7H3;12-14,17,19H,7-11,15-16H2,1-6H3,(H2,26,29,30)
InChIKeyMUTOUSZWIUFHHK-UHFFFAOYSA-N
XLogP19.42
TPSA199.08 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001519.28
LogP ≤ 519.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine with MolForge

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Related Compounds

5-(3-tert-butyl-4-morpholin-4-ylsulfonylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70914900
5-[3-tert-butyl-5-(2-morpholin-4-ylethoxy)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70913411
5-[3-tert-butyl-5-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide
CID 70913497
3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-N-methyl-N-(2-methylpropyl)benzamide
CID 70913675
3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide
CID 70913607
5-[3-tert-butyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide
CID 70913837
5-[2-tert-butyl-6-[6-[[6-tert-butyl-4-[1-(cyclohexylmethyl)-5-methyl-4-(oxetan-3-ylcarbamoyl)pyrrol-2-yl]-2-pyridinyl]oxy]-2,5-dimethylhexan-2-yl]-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 123265166
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-ethylpyrrole-3-sulfonamide
CID 70913716
N-tert-butyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-5-(trifluoromethyl)benzamide
CID 70913676
5-[2-tert-butyl-6-(2,2,2-trifluoroethoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 71581820
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-N-ethyl-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-sulfonamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanamide;3-[[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylamino]propanoic acid
CID 159051469
5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562640

Frequently Asked Questions

What is the IUPAC name of 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine?
The IUPAC name of 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine (CID 159677322) is 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine.
What is the SMILES notation for 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine?
The canonical SMILES for 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine is Cc1c(S(=O)(=O)N2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(=O)(=O)NCC2CCOCC2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2cc(OCC(C)C)nc(C(C)(C)C)c2)n1CC1CCCCC1.
What is the InChIKey of 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine?
The InChIKey is MUTOUSZWIUFHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2O3S.C30H46N2O3S.C25H39N3O3S/c1-23-30(38(35,36)33-21-24-13-15-37-16-14-24)20-29(34(23)22-25-11-9-8-10-12-25)26-17-27(31(2,3)4)19-28(18-26)32(5,6)7;1-22-28(36(33,34)31-13-15-35-16-14-31)20-27(32(22)21-23-11-9-8-10-12-23)24-17-25(29(2,3)4)19-26(18-24)30(5,6)7;1-17(2)16-31-24-13-20(12-23(27-24)25(4,5)6)21-14-22(32(26,29)30)18(3)28(21)15-19-10-8-7-9-11-19/h17-20,24-25,33H,8-16,21-22H2,1-7H3;17-20,23H,8-16,21H2,1-7H3;12-14,17,19H,7-11,15-16H2,1-6H3,(H2,26,29,30).
What are the key properties of 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine?
5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine has a molecular weight of 1519.28 g/mol, XLogP of 19.42, 19 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-tert-butyl-6-(2-methylpropoxy)-4-pyridinyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide;4-[1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-methylpyrrol-3-yl]sulfonylmorpholine is sourced from PubChem (CID 159677322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).