(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

C30H28N2O5S — CID 126180329

IUPAC(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc(OC)cc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H28N2O5S/c1-3-37-27-17-11-25(12-18-27)32-38(34,35)28-19-13-24(14-20-28)31-30(33)29(23-7-5-4-6-8-23)21-22-9-15-26(36-2)16-10-22/h4-21,32H,3H2,1-2H3,(H,31,33)/b29-21+
InChIKeyQTGSBPGHJAMHKH-XHLNEMQHSA-N
MW528.63 g/mol
LogP6.07
Rot. Bonds10

About (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 126180329) has the molecular formula C30H28N2O5S and a molecular weight of 528.63 g/mol. Its IUPAC name is (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID126180329
Molecular FormulaC30H28N2O5S
Molecular Weight528.63 g/mol
Exact Mass528.17
IUPAC Name(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc(OC)cc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H28N2O5S/c1-3-37-27-17-11-25(12-18-27)32-38(34,35)28-19-13-24(14-20-28)31-30(33)29(23-7-5-4-6-8-23)21-22-9-15-26(36-2)16-10-22/h4-21,32H,3H2,1-2H3,(H,31,33)/b29-21+
InChIKeyQTGSBPGHJAMHKH-XHLNEMQHSA-N
XLogP6.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 43881759
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
N-[3-(4-ethoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 4300653
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3308515
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2369538

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 126180329) is (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc(OC)cc3)c3ccccc3)cc2)cc1.
What is the InChIKey of (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is QTGSBPGHJAMHKH-XHLNEMQHSA-N. The full InChI is InChI=1S/C30H28N2O5S/c1-3-37-27-17-11-25(12-18-27)32-38(34,35)28-19-13-24(14-20-28)31-30(33)29(23-7-5-4-6-8-23)21-22-9-15-26(36-2)16-10-22/h4-21,32H,3H2,1-2H3,(H,31,33)/b29-21+.
What are the key properties of (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 528.63 g/mol, XLogP of 6.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 126180329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).