1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C33H47F3N4O5S — CID 149144681

IUPAC1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CNC(O)C34CCOCC4)c(C)n2CC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C33H47F3N4O5S/c1-4-8-21(2)39-46(43,44)28-12-11-24(17-26(28)33(34,35)36)27-18-25(22(3)40(27)20-23-9-6-5-7-10-23)30(41)38-29-19-37-31(42)32(29)13-15-45-16-14-32/h11-12,17-18,21,23,29,31,37,39,42H,4-10,13-16,19-20H2,1-3H3,(H,38,41)
InChIKeyRJPPZWRBGOTENL-UHFFFAOYSA-N
MW668.82 g/mol
LogP5.35
Rot. Bonds10

About 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 149144681) has the molecular formula C33H47F3N4O5S and a molecular weight of 668.82 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID149144681
Molecular FormulaC33H47F3N4O5S
Molecular Weight668.82 g/mol
Exact Mass668.32
IUPAC Name1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CNC(O)C34CCOCC4)c(C)n2CC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C33H47F3N4O5S/c1-4-8-21(2)39-46(43,44)28-12-11-24(17-26(28)33(34,35)36)27-18-25(22(3)40(27)20-23-9-6-5-7-10-23)30(41)38-29-19-37-31(42)32(29)13-15-45-16-14-32/h11-12,17-18,21,23,29,31,37,39,42H,4-10,13-16,19-20H2,1-3H3,(H,38,41)
InChIKeyRJPPZWRBGOTENL-UHFFFAOYSA-N
XLogP5.35
TPSA121.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.82
LogP ≤ 55.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide with MolForge

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Related Compounds

5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 118539245
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-N-(2,2-dimethyl-3-methylsulfonylpropyl)-2-methylpyrrole-3-carboxamide
CID 159155665
5-[3-tert-butyl-4-(2-methylbutan-2-ylamino)sulfanylphenyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxetan-3-yl)pyrrole-3-carboxamide
CID 146357478
N-butyl-1-(cyclohexylmethyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 10022081
5-[4-tert-butylsulfinamoyl-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-2-fluoro-N-(oxan-4-yl)pyrrole-3-carboxamide
CID 146357537
1-(cyclohexylmethyl)-5-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-sulfonamide
CID 70913773
5-[3-tert-butyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide
CID 70913837
4-[[5-[4-(tert-butylsulfamoyl)-3-(trifluoromethoxy)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 71581686
5-[3-bromo-4-(dimethylamino)phenyl]-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998991
5-[3-tert-butyl-4-[tert-butylsulfanyl(methyl)amino]phenyl]-1-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-2-methylpyrrole-3-carboxamide
CID 146357438
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562837
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998959

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 149144681) is 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is CCCC(C)NS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CNC(O)C34CCOCC4)c(C)n2CC2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is RJPPZWRBGOTENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47F3N4O5S/c1-4-8-21(2)39-46(43,44)28-12-11-24(17-26(28)33(34,35)36)27-18-25(22(3)40(27)20-23-9-6-5-7-10-23)30(41)38-29-19-37-31(42)32(29)13-15-45-16-14-32/h11-12,17-18,21,23,29,31,37,39,42H,4-10,13-16,19-20H2,1-3H3,(H,38,41).
What are the key properties of 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 668.82 g/mol, XLogP of 5.35, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(1-hydroxy-8-oxa-2-azaspiro[4.5]decan-4-yl)-2-methyl-5-[4-(pentan-2-ylsulfamoyl)-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 149144681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).