2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide

C19H24FNO3S — CID 59337085

IUPAC2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24FNO3S/c1-25(23,24)21-18(22)11-19(14-2-4-17(20)5-3-14)15-7-12-6-13(9-15)10-16(19)8-12/h2-5,12-13,15-16H,6-11H2,1H3,(H,21,22)
InChIKeyAIDSIWDEHXHGMM-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.99
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide

2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide (PubChem CID 59337085) has the molecular formula C19H24FNO3S and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide
PubChem CID59337085
Molecular FormulaC19H24FNO3S
Molecular Weight365.47 g/mol
Exact Mass365.15
IUPAC Name2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24FNO3S/c1-25(23,24)21-18(22)11-19(14-2-4-17(20)5-3-14)15-7-12-6-13(9-15)10-16(19)8-12/h2-5,12-13,15-16H,6-11H2,1H3,(H,21,22)
InChIKeyAIDSIWDEHXHGMM-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide (CID 59337085) is 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide?
The InChIKey is AIDSIWDEHXHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3S/c1-25(23,24)21-18(22)11-19(14-2-4-17(20)5-3-14)15-7-12-6-13(9-15)10-16(19)8-12/h2-5,12-13,15-16H,6-11H2,1H3,(H,21,22).
What are the key properties of 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide?
2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide has a molecular weight of 365.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-adamantyl]-N-methylsulfonylacetamide is sourced from PubChem (CID 59337085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).