(2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide

C18H21FN2O5S — CID 95593474

IUPAC(2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C18H21FN2O5S/c1-12(26-11-13-5-2-3-10-25-13)18(22)21-27(23,24)16-8-7-15(19)17-14(16)6-4-9-20-17/h4,6-9,12-13H,2-3,5,10-11H2,1H3,(H,21,22)/t12-,13-/m0/s1
InChIKeyMMMFMZARSMYKCG-STQMWFEESA-N
MW396.44 g/mol
LogP2.15
Rot. Bonds6

About (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide

(2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide (PubChem CID 95593474) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide
PubChem CID95593474
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC Name(2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C18H21FN2O5S/c1-12(26-11-13-5-2-3-10-25-13)18(22)21-27(23,24)16-8-7-15(19)17-14(16)6-4-9-20-17/h4,6-9,12-13H,2-3,5,10-11H2,1H3,(H,21,22)/t12-,13-/m0/s1
InChIKeyMMMFMZARSMYKCG-STQMWFEESA-N
XLogP2.15
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide with MolForge

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Related Compounds

(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
(2R)-N-[(5-chloro-2-pyridinyl)sulfonyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 99807154
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613
(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97209318
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
CID 124615556
(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 75417596

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide (CID 95593474) is (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide is C[C@H](OC[C@@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12.
What is the InChIKey of (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The InChIKey is MMMFMZARSMYKCG-STQMWFEESA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-12(26-11-13-5-2-3-10-25-13)18(22)21-27(23,24)16-8-7-15(19)17-14(16)6-4-9-20-17/h4,6-9,12-13H,2-3,5,10-11H2,1H3,(H,21,22)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
(2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide has a molecular weight of 396.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-fluoroquinolin-5-yl)sulfonyl-2-[[(2S)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95593474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).