[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate

C25H24N2O6S — CID 2638459

IUPAC[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1cccc(/C=C(/C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1
InChIInChI=1S/C25H24N2O6S/c1-17(24(28)27-20-11-13-22(14-12-20)34(26,30)31)33-25(29)23(19-8-4-3-5-9-19)16-18-7-6-10-21(15-18)32-2/h3-17H,1-2H3,(H,27,28)(H2,26,30,31)/b23-16+/t17-/m1/s1
InChIKeyNKNOPXDGYGUMIH-BXDFRRGMSA-N
MW480.54 g/mol
LogP3.45
Rot. Bonds8

About [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate (PubChem CID 2638459) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
PubChem CID2638459
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1cccc(/C=C(/C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1
InChIInChI=1S/C25H24N2O6S/c1-17(24(28)27-20-11-13-22(14-12-20)34(26,30)31)33-25(29)23(19-8-4-3-5-9-19)16-18-7-6-10-21(15-18)32-2/h3-17H,1-2H3,(H,27,28)(H2,26,30,31)/b23-16+/t17-/m1/s1
InChIKeyNKNOPXDGYGUMIH-BXDFRRGMSA-N
XLogP3.45
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2638443
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 4831135
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-acetamidobenzoate
CID 55315726
(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 8633901
(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 3291781
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8509329
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7555105
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate
CID 8740135
(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
CID 39953949
(2-chlorophenyl)methyl (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 2435461

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate (CID 2638459) is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The canonical SMILES for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate is COc1cccc(/C=C(/C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1.
What is the InChIKey of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The InChIKey is NKNOPXDGYGUMIH-BXDFRRGMSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-17(24(28)27-20-11-13-22(14-12-20)34(26,30)31)33-25(29)23(19-8-4-3-5-9-19)16-18-7-6-10-21(15-18)32-2/h3-17H,1-2H3,(H,27,28)(H2,26,30,31)/b23-16+/t17-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate has a molecular weight of 480.54 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 2638459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).