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

C12H17NO5S — CID 95276135

IUPAC(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide
SMILESCCO[C@H](C)C(=O)NS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C12H17NO5S/c1-4-18-9(2)12(14)13-19(15,16)11-7-5-6-10(8-11)17-3/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyBOLFQNAHKIORAI-SECBINFHSA-N
MW287.34 g/mol
LogP0.93
Rot. Bonds6

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

(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide (PubChem CID 95276135) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide
PubChem CID95276135
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide
SMILESCCO[C@H](C)C(=O)NS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C12H17NO5S/c1-4-18-9(2)12(14)13-19(15,16)11-7-5-6-10(8-11)17-3/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyBOLFQNAHKIORAI-SECBINFHSA-N
XLogP0.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
[(3-methoxyphenyl)sulfonylamino] butanoate
CID 90797879
3-ethylsulfanyl-N-(3-methoxyphenyl)sulfonylpropanamide
CID 47480123
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
1-(3,3-diethoxypropylsulfonyl)-3-methoxybenzene
CID 64643692
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
ethyl 4-[(3-methoxyphenyl)sulfonylamino]butanoate
CID 81259857
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide (CID 95276135) is (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide is CCO[C@H](C)C(=O)NS(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide?
The InChIKey is BOLFQNAHKIORAI-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-4-18-9(2)12(14)13-19(15,16)11-7-5-6-10(8-11)17-3/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide?
(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide has a molecular weight of 287.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 95276135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).