N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide

C14H19FN2O4S — CID 113093111

IUPACN-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide
SMILESCN(c1ccc(F)cc1NC(=O)C1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C14H19FN2O4S/c1-17(22(2,19)20)13-4-3-11(15)9-12(13)16-14(18)10-5-7-21-8-6-10/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)
InChIKeyJCVQBHKOTYRVRG-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.59
Rot. Bonds4

About N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide

N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide (PubChem CID 113093111) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide
PubChem CID113093111
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC NameN-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide
SMILESCN(c1ccc(F)cc1NC(=O)C1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C14H19FN2O4S/c1-17(22(2,19)20)13-4-3-11(15)9-12(13)16-14(18)10-5-7-21-8-6-10/h3-4,9-10H,5-8H2,1-2H3,(H,16,18)
InChIKeyJCVQBHKOTYRVRG-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522
N-[2-[methyl(methylsulfonyl)amino]-5-phenylphenyl]cyclohexanecarboxamide
CID 25115537
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
N-(5-fluoro-2-piperidin-1-ylphenyl)oxane-4-carboxamide
CID 113092620
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 113093104
2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113093094
N-[5-fluoro-2-(methanesulfonamido)phenyl]cyclobutanecarboxamide
CID 113093375
N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
CID 113093430
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(2-acetamido-5-fluorophenyl)cyclohexanecarboxamide
CID 113092924
N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide
CID 103097804

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide?
The IUPAC name of N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide (CID 113093111) is N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide is CN(c1ccc(F)cc1NC(=O)C1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide?
The InChIKey is JCVQBHKOTYRVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-17(22(2,19)20)13-4-3-11(15)9-12(13)16-14(18)10-5-7-21-8-6-10/h3-4,9-10H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide?
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 113093111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).