2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

C15H23FN3O4S+ — CID 7477668

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccccc1F
InChIInChI=1S/C15H22FN3O4S/c1-24(21,22)19(14-5-3-2-4-13(14)16)12-15(20)17-6-7-18-8-10-23-11-9-18/h2-5H,6-12H2,1H3,(H,17,20)/p+1
InChIKeyABQKYSOEZAAFBR-UHFFFAOYSA-O
MW360.43 g/mol
LogP-1.38
Rot. Bonds7

About 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (PubChem CID 7477668) has the molecular formula C15H23FN3O4S+ and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
PubChem CID7477668
Molecular FormulaC15H23FN3O4S+
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccccc1F
InChIInChI=1S/C15H22FN3O4S/c1-24(21,22)19(14-5-3-2-4-13(14)16)12-15(20)17-6-7-18-8-10-23-11-9-18/h2-5H,6-12H2,1H3,(H,17,20)/p+1
InChIKeyABQKYSOEZAAFBR-UHFFFAOYSA-O
XLogP-1.38
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7339596
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7421601
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 7477670
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126033516
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 30221731
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50946442
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43895820
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-propylacetamide
CID 30391962

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (CID 7477668) is 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The InChIKey is ABQKYSOEZAAFBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22FN3O4S/c1-24(21,22)19(14-5-3-2-4-13(14)16)12-15(20)17-6-7-18-8-10-23-11-9-18/h2-5H,6-12H2,1H3,(H,17,20)/p+1.
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide has a molecular weight of 360.43 g/mol, XLogP of -1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is sourced from PubChem (CID 7477668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).