(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide

C13H20N2O5S — CID 9264822

IUPAC(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H20N2O5S/c1-5-14-13(16)9(2)15-21(17,18)12-8-10(19-3)6-7-11(12)20-4/h6-9,15H,5H2,1-4H3,(H,14,16)/t9-/m1/s1
InChIKeyGBCWZHNKNNVIGB-SECBINFHSA-N
MW316.38 g/mol
LogP0.51
Rot. Bonds7

About (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide

(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 9264822) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID9264822
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H20N2O5S/c1-5-14-13(16)9(2)15-21(17,18)12-8-10(19-3)6-7-11(12)20-4/h6-9,15H,5H2,1-4H3,(H,14,16)/t9-/m1/s1
InChIKeyGBCWZHNKNNVIGB-SECBINFHSA-N
XLogP0.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9190128
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 40932030
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 47347665
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 124549238
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 81396931
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 94812873
N-ethyl-4-methoxy-3-[1-(4-methoxyphenyl)ethylsulfamoyl]benzamide
CID 133239571

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide (CID 9264822) is (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is GBCWZHNKNNVIGB-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-5-14-13(16)9(2)15-21(17,18)12-8-10(19-3)6-7-11(12)20-4/h6-9,15H,5H2,1-4H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide?
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 9264822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).