3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide

C23H28F2N2O4S — CID 158698743

IUPAC3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(CC(=O)C4(NS(=O)(=O)c5cc(F)ccc5F)CCC4)(C3)C1)C2
InChIInChI=1S/C23H28F2N2O4S/c24-16-2-3-17(25)18(7-16)32(30,31)27-23(4-1-5-23)19(28)12-21-8-14-6-15(9-21)11-22(10-14,13-21)20(26)29/h2-3,7,14-15,27H,1,4-6,8-13H2,(H2,26,29)
InChIKeyZWXJHUIIHPJATH-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.20
Rot. Bonds7

About 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide

3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 158698743) has the molecular formula C23H28F2N2O4S and a molecular weight of 466.55 g/mol. Its IUPAC name is 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID158698743
Molecular FormulaC23H28F2N2O4S
Molecular Weight466.55 g/mol
Exact Mass466.17
IUPAC Name3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(CC(=O)C4(NS(=O)(=O)c5cc(F)ccc5F)CCC4)(C3)C1)C2
InChIInChI=1S/C23H28F2N2O4S/c24-16-2-3-17(25)18(7-16)32(30,31)27-23(4-1-5-23)19(28)12-21-8-14-6-15(9-21)11-22(10-14,13-21)20(26)29/h2-3,7,14-15,27H,1,4-6,8-13H2,(H2,26,29)
InChIKeyZWXJHUIIHPJATH-UHFFFAOYSA-N
XLogP3.20
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-oxo-2-[1-[[4-(trifluoromethoxy)phenyl]sulfonylamino]cyclobutyl]ethyl]adamantane-1-carboxamide
CID 158698747
4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294198
1-[(2,5-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124069
4-[3-[(2,5-difluorophenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
CID 147894696
2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide
CID 90865086
3-[3-methyl-2-oxo-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butyl]adamantane-1-carboxamide
CID 158407036
4-[2-[1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclohexyl]-2-oxoethyl]adamantane-1-carboxamide
CID 152873715
3-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294402
4-[2-[1-[(3-fluoro-4-methoxyphenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
CID 157382787
4-[2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
CID 158338343
4-[2-[1-[(2-nitrophenyl)sulfonylamino]cyclopentyl]-2-oxoethyl]adamantane-1-carboxamide
CID 148845023
2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8616471

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide (CID 158698743) is 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide is NC(=O)C12CC3CC(CC(CC(=O)C4(NS(=O)(=O)c5cc(F)ccc5F)CCC4)(C3)C1)C2.
What is the InChIKey of 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is ZWXJHUIIHPJATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O4S/c24-16-2-3-17(25)18(7-16)32(30,31)27-23(4-1-5-23)19(28)12-21-8-14-6-15(9-21)11-22(10-14,13-21)20(26)29/h2-3,7,14-15,27H,1,4-6,8-13H2,(H2,26,29).
What are the key properties of 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide?
3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 158698743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).