(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide

C13H19NO5S — CID 94027401

IUPAC(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
SMILESCOCCNC(=O)[C@@H](C)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO5S/c1-10(13(15)14-7-8-18-2)20(16,17)12-6-4-5-11(9-12)19-3/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyYOSSQGCZVCWJIL-SNVBAGLBSA-N
MW301.36 g/mol
LogP0.62
Rot. Bonds7

About (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide

(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide (PubChem CID 94027401) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
PubChem CID94027401
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
SMILESCOCCNC(=O)[C@@H](C)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO5S/c1-10(13(15)14-7-8-18-2)20(16,17)12-6-4-5-11(9-12)19-3/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyYOSSQGCZVCWJIL-SNVBAGLBSA-N
XLogP0.62
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 86918589
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
N-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 107852150
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
N-[(3-methoxyphenyl)methyl]-2-(4-nitrophenyl)sulfonylpropanamide
CID 17436771
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
(2S)-2-[(3-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)propanamide
CID 52504520
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278
2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 81201903
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide (CID 94027401) is (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide is COCCNC(=O)[C@@H](C)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide?
The InChIKey is YOSSQGCZVCWJIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10(13(15)14-7-8-18-2)20(16,17)12-6-4-5-11(9-12)19-3/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide?
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide has a molecular weight of 301.36 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 94027401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).