2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide

C20H27FN2O4S — CID 71246283

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1F)C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H27FN2O4S/c1-19(2,23-28(26,27)16-6-4-3-5-15(16)21)18(24)22-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h3-6,12-14,17,23,25H,7-11H2,1-2H3,(H,22,24)
InChIKeyHRQCFNULTJZPFD-UHFFFAOYSA-N
MW410.51 g/mol
LogP1.94
Rot. Bonds5

About 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide

2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide (PubChem CID 71246283) has the molecular formula C20H27FN2O4S and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
PubChem CID71246283
Molecular FormulaC20H27FN2O4S
Molecular Weight410.51 g/mol
Exact Mass410.17
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1F)C(=O)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H27FN2O4S/c1-19(2,23-28(26,27)16-6-4-3-5-15(16)21)18(24)22-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h3-6,12-14,17,23,25H,7-11H2,1-2H3,(H,22,24)
InChIKeyHRQCFNULTJZPFD-UHFFFAOYSA-N
XLogP1.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide (CID 71246283) is 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide is CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide?
The InChIKey is HRQCFNULTJZPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O4S/c1-19(2,23-28(26,27)16-6-4-3-5-15(16)21)18(24)22-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h3-6,12-14,17,23,25H,7-11H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide has a molecular weight of 410.51 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-(5-hydroxy-2-adamantyl)-2-methylpropanamide is sourced from PubChem (CID 71246283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).