5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide

C27H40N2O4S — CID 66562640

IUPAC5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
SMILESCOC1(C)CCOc2c(C(C)(C)C)cc(-c3cc(S(N)(=O)=O)c(C)n3CC3CCCCC3)cc21
InChIInChI=1S/C27H40N2O4S/c1-18-24(34(28,30)31)16-23(29(18)17-19-10-8-7-9-11-19)20-14-21(26(2,3)4)25-22(15-20)27(5,32-6)12-13-33-25/h14-16,19H,7-13,17H2,1-6H3,(H2,28,30,31)
InChIKeyQLOISGNVIRHZAD-UHFFFAOYSA-N
MW488.69 g/mol
LogP5.63
Rot. Bonds5

About 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide

5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide (PubChem CID 66562640) has the molecular formula C27H40N2O4S and a molecular weight of 488.69 g/mol. Its IUPAC name is 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
PubChem CID66562640
Molecular FormulaC27H40N2O4S
Molecular Weight488.69 g/mol
Exact Mass488.27
IUPAC Name5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
SMILESCOC1(C)CCOc2c(C(C)(C)C)cc(-c3cc(S(N)(=O)=O)c(C)n3CC3CCCCC3)cc21
InChIInChI=1S/C27H40N2O4S/c1-18-24(34(28,30)31)16-23(29(18)17-19-10-8-7-9-11-19)20-14-21(26(2,3)4)25-22(15-20)27(5,32-6)12-13-33-25/h14-16,19H,7-13,17H2,1-6H3,(H2,28,30,31)
InChIKeyQLOISGNVIRHZAD-UHFFFAOYSA-N
XLogP5.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.69
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(7-tert-butyl-3-methyl-2H-indazol-5-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70913763
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562837
5-(3-tert-butyl-4-morpholin-4-ylsulfonylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70914900
5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 158836226
3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide
CID 70913607
5-[3-tert-butyl-5-(2-morpholin-4-ylethoxy)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70913411
1-(cyclohexylmethyl)-5-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-sulfonamide
CID 70913773
1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide
CID 123508986
5-[3-tert-butyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide
CID 70913837
1-(cyclohexylmethyl)-5-(3,5-ditert-butylphenyl)-2-ethylpyrrole-3-sulfonamide
CID 70913716
3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-N-methyl-N-(2-methylpropyl)benzamide
CID 70913675
N-tert-butyl-3-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]-5-(trifluoromethyl)benzamide
CID 70913676

Frequently Asked Questions

What is the IUPAC name of 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide (CID 66562640) is 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide is COC1(C)CCOc2c(C(C)(C)C)cc(-c3cc(S(N)(=O)=O)c(C)n3CC3CCCCC3)cc21.
What is the InChIKey of 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide?
The InChIKey is QLOISGNVIRHZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O4S/c1-18-24(34(28,30)31)16-23(29(18)17-19-10-8-7-9-11-19)20-14-21(26(2,3)4)25-22(15-20)27(5,32-6)12-13-33-25/h14-16,19H,7-13,17H2,1-6H3,(H2,28,30,31).
What are the key properties of 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide?
5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide has a molecular weight of 488.69 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 66562640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).