2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide

C20H26F2N2O4S — CID 71246493

IUPAC2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H26F2N2O4S/c1-19(2,24-29(27,28)17-14(21)4-3-5-15(17)22)18(25)23-16-12-6-11-7-13(16)10-20(26,8-11)9-12/h3-5,11-13,16,24,26H,6-10H2,1-2H3,(H,23,25)
InChIKeyUHXUKLJPYKRFFP-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.08
Rot. Bonds5

About 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide

2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide (PubChem CID 71246493) has the molecular formula C20H26F2N2O4S and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
PubChem CID71246493
Molecular FormulaC20H26F2N2O4S
Molecular Weight428.50 g/mol
Exact Mass428.16
IUPAC Name2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H26F2N2O4S/c1-19(2,24-29(27,28)17-14(21)4-3-5-15(17)22)18(25)23-16-12-6-11-7-13(16)10-20(26,8-11)9-12/h3-5,11-13,16,24,26H,6-10H2,1-2H3,(H,23,25)
InChIKeyUHXUKLJPYKRFFP-UHFFFAOYSA-N
XLogP2.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide?
The IUPAC name of 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide (CID 71246493) is 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide is CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide?
The InChIKey is UHXUKLJPYKRFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O4S/c1-19(2,24-29(27,28)17-14(21)4-3-5-15(17)22)18(25)23-16-12-6-11-7-13(16)10-20(26,8-11)9-12/h3-5,11-13,16,24,26H,6-10H2,1-2H3,(H,23,25).
What are the key properties of 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide?
2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide has a molecular weight of 428.50 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide is sourced from PubChem (CID 71246493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).