(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

C15H18N2O5S — CID 95270061

IUPAC(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCO1)C(=O)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H18N2O5S/c1-11(22-10-13-5-3-7-21-13)15(18)17-23(19,20)14-6-2-4-12(8-14)9-16/h2,4,6,8,11,13H,3,5,7,10H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyXQVRAGMYVXDWDB-DGCLKSJQSA-N
MW338.38 g/mol
LogP0.95
Rot. Bonds6

About (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (PubChem CID 95270061) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
PubChem CID95270061
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCO1)C(=O)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H18N2O5S/c1-11(22-10-13-5-3-7-21-13)15(18)17-23(19,20)14-6-2-4-12(8-14)9-16/h2,4,6,8,11,13H,3,5,7,10H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyXQVRAGMYVXDWDB-DGCLKSJQSA-N
XLogP0.95
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542
(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
(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
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48849651
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (CID 95270061) is (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is C[C@@H](OC[C@H]1CCCO1)C(=O)NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is XQVRAGMYVXDWDB-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-11(22-10-13-5-3-7-21-13)15(18)17-23(19,20)14-6-2-4-12(8-14)9-16/h2,4,6,8,11,13H,3,5,7,10H2,1H3,(H,17,18)/t11-,13-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 338.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95270061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).