(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide

C13H19NO5S2 — CID 95272613

IUPAC(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H19NO5S2/c1-10(19-9-11-5-2-3-7-18-11)13(15)14-21(16,17)12-6-4-8-20-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyUWJVMJCSTVLLNR-GHMZBOCLSA-N
MW333.43 g/mol
LogP1.53
Rot. Bonds6

About (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide

(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide (PubChem CID 95272613) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
PubChem CID95272613
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
SMILESC[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H19NO5S2/c1-10(19-9-11-5-2-3-7-18-11)13(15)14-21(16,17)12-6-4-8-20-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyUWJVMJCSTVLLNR-GHMZBOCLSA-N
XLogP1.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97209318
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)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
(2R)-N-[(5-chloro-2-pyridinyl)sulfonyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 99807154
(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 95270061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide (CID 95272613) is (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide is C[C@@H](OC[C@H]1CCCCO1)C(=O)NS(=O)(=O)c1cccs1.
What is the InChIKey of (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide?
The InChIKey is UWJVMJCSTVLLNR-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-10(19-9-11-5-2-3-7-18-11)13(15)14-21(16,17)12-6-4-8-20-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide?
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 95272613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).