(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide

C13H19NO5S — CID 94027440

IUPAC(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO5S/c1-10(13(15)14-8-9-18-2)20(16,17)12-6-4-11(19-3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyPIEFKDMQVJIUMC-SNVBAGLBSA-N
MW301.36 g/mol
LogP0.62
Rot. Bonds7

About (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide

(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 94027440) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID94027440
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO5S/c1-10(13(15)14-8-9-18-2)20(16,17)12-6-4-11(19-3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyPIEFKDMQVJIUMC-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

2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
CID 94027401
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 82110533
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide
CID 22943507
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide (CID 94027440) is (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide is COCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is PIEFKDMQVJIUMC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10(13(15)14-8-9-18-2)20(16,17)12-6-4-11(19-3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide?
(2R)-N-(2-methoxyethyl)-2-(4-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-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 94027440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).