(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C15H21NO5S — CID 95272601

IUPAC(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21NO5S/c1-12(21-11-13-7-5-6-10-20-13)15(17)16-22(18,19)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyXBSISYFNGMQLDL-CHWSQXEVSA-N
MW327.40 g/mol
LogP1.47
Rot. Bonds6

About (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 95272601) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID95272601
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21NO5S/c1-12(21-11-13-7-5-6-10-20-13)15(17)16-22(18,19)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyXBSISYFNGMQLDL-CHWSQXEVSA-N
XLogP1.47
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
(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
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613
(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 95270061
(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97209318
(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 95272601) is (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide is C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is XBSISYFNGMQLDL-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-12(21-11-13-7-5-6-10-20-13)15(17)16-22(18,19)14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 327.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 95272601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).