(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide

C17H18N2O6S — CID 8633901

IUPAC(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C=O)c1
InChIInChI=1S/C17H18N2O6S/c1-11(25-16-8-5-14(24-2)9-12(16)10-20)17(21)19-13-3-6-15(7-4-13)26(18,22)23/h3-11H,1-2H3,(H,19,21)(H2,18,22,23)/t11-/m1/s1
InChIKeyJURLTZWULVFMCY-LLVKDONJSA-N
MW378.41 g/mol
LogP1.56
Rot. Bonds7

About (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide

(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 8633901) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID8633901
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C=O)c1
InChIInChI=1S/C17H18N2O6S/c1-11(25-16-8-5-14(24-2)9-12(16)10-20)17(21)19-13-3-6-15(7-4-13)26(18,22)23/h3-11H,1-2H3,(H,19,21)(H2,18,22,23)/t11-/m1/s1
InChIKeyJURLTZWULVFMCY-LLVKDONJSA-N
XLogP1.56
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide
CID 43212710
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8509329
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 16526072
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
4-[[(2R)-2-(4-bromo-2-formylphenoxy)propanoyl]amino]benzamide
CID 7820103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 8633901) is (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide is COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C=O)c1.
What is the InChIKey of (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is JURLTZWULVFMCY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-11(25-16-8-5-14(24-2)9-12(16)10-20)17(21)19-13-3-6-15(7-4-13)26(18,22)23/h3-11H,1-2H3,(H,19,21)(H2,18,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 378.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 8633901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).