(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

C24H24N2O4S — CID 55989935

IUPAC(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(C)cc2OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-18-8-14-22(23(16-18)30-17-20-6-4-3-5-7-20)26-24(27)15-11-19-9-12-21(13-10-19)31(28,29)25-2/h3-16,25H,17H2,1-2H3,(H,26,27)/b15-11+
InChIKeyCMDMOXQTBWMLMT-RVDMUPIBSA-N
MW436.53 g/mol
LogP4.13
Rot. Bonds8

About (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 55989935) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
PubChem CID55989935
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(C)cc2OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-18-8-14-22(23(16-18)30-17-20-6-4-3-5-7-20)26-24(27)15-11-19-9-12-21(13-10-19)31(28,29)25-2/h3-16,25H,17H2,1-2H3,(H,26,27)/b15-11+
InChIKeyCMDMOXQTBWMLMT-RVDMUPIBSA-N
XLogP4.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.13
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)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 11811804
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
CID 76869273
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 94108691
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
(E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 60575425
(E)-N-(2-butoxy-5-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 35364459
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
4-amino-3-methoxy-N-(4-methyl-2-phenylmethoxyphenyl)butanamide
CID 120588954
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (CID 55989935) is (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(C)cc2OCc2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is CMDMOXQTBWMLMT-RVDMUPIBSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-18-8-14-22(23(16-18)30-17-20-6-4-3-5-7-20)26-24(27)15-11-19-9-12-21(13-10-19)31(28,29)25-2/h3-16,25H,17H2,1-2H3,(H,26,27)/b15-11+.
What are the key properties of (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 436.53 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55989935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).