3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide

C21H27F2N3O4S — CID 90294283

IUPAC3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
SMILESCC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C21H27F2N3O4S/c1-19(2,26-31(29,30)16-5-14(22)4-15(23)6-16)18(28)25-21-9-12-3-13(10-21)8-20(7-12,11-21)17(24)27/h4-6,12-13,26H,3,7-11H2,1-2H3,(H2,24,27)(H,25,28)
InChIKeyZLZVPOIAZYOGQW-UHFFFAOYSA-N
MW455.53 g/mol
LogP1.96
Rot. Bonds6

About 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide

3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide (PubChem CID 90294283) has the molecular formula C21H27F2N3O4S and a molecular weight of 455.53 g/mol. Its IUPAC name is 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
PubChem CID90294283
Molecular FormulaC21H27F2N3O4S
Molecular Weight455.53 g/mol
Exact Mass455.17
IUPAC Name3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
SMILESCC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C21H27F2N3O4S/c1-19(2,26-31(29,30)16-5-14(22)4-15(23)6-16)18(28)25-21-9-12-3-13(10-21)8-20(7-12,11-21)17(24)27/h4-6,12-13,26H,3,7-11H2,1-2H3,(H2,24,27)(H,25,28)
InChIKeyZLZVPOIAZYOGQW-UHFFFAOYSA-N
XLogP1.96
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-methyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 90294281
3-[[2-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 90294292
3-[[2-[(2,3-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294303
3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294215
3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
CID 90294234
4-[[2-[(4-hydroxyphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 122187902
4-[[2-[(3-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 71511231
3-[[1-[(2-aminophenyl)sulfonyl-methylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294223
3-[3-methyl-2-oxo-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butyl]adamantane-1-carboxamide
CID 158407036
3-[(2-chloroacetyl)amino]adamantane-1-carboxamide
CID 68618005
3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide
CID 67480894
3-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294402

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide (CID 90294283) is 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide is CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2.
What is the InChIKey of 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide?
The InChIKey is ZLZVPOIAZYOGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O4S/c1-19(2,26-31(29,30)16-5-14(22)4-15(23)6-16)18(28)25-21-9-12-3-13(10-21)8-20(7-12,11-21)17(24)27/h4-6,12-13,26H,3,7-11H2,1-2H3,(H2,24,27)(H,25,28).
What are the key properties of 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide?
3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 90294283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).