2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide

C18H23FN2O3S — CID 90865086

IUPAC2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide
SMILESNC(=O)CC12CC3CC(C1)CC(NS(=O)(=O)c1ccccc1F)(C3)C2
InChIInChI=1S/C18H23FN2O3S/c19-14-3-1-2-4-15(14)25(23,24)21-18-8-12-5-13(9-18)7-17(6-12,11-18)10-16(20)22/h1-4,12-13,21H,5-11H2,(H2,20,22)
InChIKeyQPZLLRXYGLXRGR-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.32
Rot. Bonds5

About 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide

2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide (PubChem CID 90865086) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide
PubChem CID90865086
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide
SMILESNC(=O)CC12CC3CC(C1)CC(NS(=O)(=O)c1ccccc1F)(C3)C2
InChIInChI=1S/C18H23FN2O3S/c19-14-3-1-2-4-15(14)25(23,24)21-18-8-12-5-13(9-18)7-17(6-12,11-18)10-16(20)22/h1-4,12-13,21H,5-11H2,(H2,20,22)
InChIKeyQPZLLRXYGLXRGR-UHFFFAOYSA-N
XLogP2.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
3-[2-[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutyl]-2-oxoethyl]adamantane-1-carboxamide
CID 158698743
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 27550113
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
N-[[1-[2-(1-adamantyl)acetyl]cyclopropyl]methyl]-2-fluoro-N-methylbenzenesulfonamide
CID 159225422
3-[3-methyl-2-oxo-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butyl]adamantane-1-carboxamide
CID 158407036
N-(2-adamantyl)-2-fluorobenzenesulfonamide
CID 60652258
N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide
CID 30532106
2-(1-adamantyl)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8616471
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
N-(1-adamantylmethyl)-2-bromobenzenesulfonamide
CID 3687690

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide?
The IUPAC name of 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide (CID 90865086) is 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide?
The canonical SMILES for 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide is NC(=O)CC12CC3CC(C1)CC(NS(=O)(=O)c1ccccc1F)(C3)C2.
What is the InChIKey of 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide?
The InChIKey is QPZLLRXYGLXRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c19-14-3-1-2-4-15(14)25(23,24)21-18-8-12-5-13(9-18)7-17(6-12,11-18)10-16(20)22/h1-4,12-13,21H,5-11H2,(H2,20,22).
What are the key properties of 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide?
2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)sulfonylamino]-1-adamantyl]acetamide is sourced from PubChem (CID 90865086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).