(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

C22H20N2O4S — CID 35053594

IUPAC(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H20N2O4S/c23-29(26,27)21-12-10-19(11-13-21)24-22(25)14-9-17-7-4-8-20(15-17)28-16-18-5-2-1-3-6-18/h1-15H,16H2,(H,24,25)(H2,23,26,27)/b14-9+
InChIKeyNDDDRVZCPRNTMC-NTEUORMPSA-N
MW408.48 g/mol
LogP3.56
Rot. Bonds7

About (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 35053594) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID35053594
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H20N2O4S/c23-29(26,27)21-12-10-19(11-13-21)24-22(25)14-9-17-7-4-8-20(15-17)28-16-18-5-2-1-3-6-18/h1-15H,16H2,(H,24,25)(H2,23,26,27)/b14-9+
InChIKeyNDDDRVZCPRNTMC-NTEUORMPSA-N
XLogP3.56
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 72945216
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 72688755
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide
CID 45376472
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
N-[2-[3-(3-phenylmethoxyphenyl)prop-2-enoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55736389
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
2-[(5Z)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)propanamide
CID 16631674
(E)-1-(2-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 6153182
(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867666
N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 4169968
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 35053594) is (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is NDDDRVZCPRNTMC-NTEUORMPSA-N. The full InChI is InChI=1S/C22H20N2O4S/c23-29(26,27)21-12-10-19(11-13-21)24-22(25)14-9-17-7-4-8-20(15-17)28-16-18-5-2-1-3-6-18/h1-15H,16H2,(H,24,25)(H2,23,26,27)/b14-9+.
What are the key properties of (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 408.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 35053594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).