8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C18H22F4N4O4S — CID 90931429

IUPAC8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC2(C=C(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)NO2)CC1
InChIInChI=1S/C18H22F4N4O4S/c1-25(2)31(28,29)26-7-5-17(6-8-26)10-15(24-30-17)16(27)23-11-12-3-4-13(14(19)9-12)18(20,21)22/h3-4,9-10,24H,5-8,11H2,1-2H3,(H,23,27)
InChIKeyALXWBPCUVWMODP-UHFFFAOYSA-N
MW466.46 g/mol
LogP1.52
Rot. Bonds5

About 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 90931429) has the molecular formula C18H22F4N4O4S and a molecular weight of 466.46 g/mol. Its IUPAC name is 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID90931429
Molecular FormulaC18H22F4N4O4S
Molecular Weight466.46 g/mol
Exact Mass466.13
IUPAC Name8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC2(C=C(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)NO2)CC1
InChIInChI=1S/C18H22F4N4O4S/c1-25(2)31(28,29)26-7-5-17(6-8-26)10-15(24-30-17)16(27)23-11-12-3-4-13(14(19)9-12)18(20,21)22/h3-4,9-10,24H,5-8,11H2,1-2H3,(H,23,27)
InChIKeyALXWBPCUVWMODP-UHFFFAOYSA-N
XLogP1.52
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90911012
N-[(2-fluorophenyl)methyl]-8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91178972
Tert-butyl 3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91189665
Tert-butyl [3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
CID 91203294
N-[(2,4-difluorophenyl)methyl]-8-(dimethylsulfamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91488859
N-(cyclopropylmethyl)-8-[3-fluoro-4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91505224
Tert-butyl 3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90739333
[3-(Benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate
CID 90839387
3-[4-[(4-tert-butylphenyl)methyl]piperazine-1-carbonyl]-N,N-dimethyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-sulfonamide
CID 90854053
8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91249127
8-(dimethylsulfamoyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91323612
N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91478073

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 90931429) is 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is CN(C)S(=O)(=O)N1CCC2(C=C(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)NO2)CC1.
What is the InChIKey of 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is ALXWBPCUVWMODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N4O4S/c1-25(2)31(28,29)26-7-5-17(6-8-26)10-15(24-30-17)16(27)23-11-12-3-4-13(14(19)9-12)18(20,21)22/h3-4,9-10,24H,5-8,11H2,1-2H3,(H,23,27).
What are the key properties of 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 466.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 90931429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).