(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide

C25H24N2O7S — CID 6065136

IUPAC(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc2OC)cc1
InChIInChI=1S/C25H24N2O7S/c1-3-32-20-9-6-18(7-10-20)27-35(29,30)24-15-19(8-12-22(24)31-2)26-25(28)13-5-17-4-11-21-23(14-17)34-16-33-21/h4-15,27H,3,16H2,1-2H3,(H,26,28)/b13-5+
InChIKeyVJQYRHZHRQHVGW-WLRTZDKTSA-N
MW496.54 g/mol
LogP4.28
Rot. Bonds9

About (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide

(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide (PubChem CID 6065136) has the molecular formula C25H24N2O7S and a molecular weight of 496.54 g/mol. Its IUPAC name is (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide
PubChem CID6065136
Molecular FormulaC25H24N2O7S
Molecular Weight496.54 g/mol
Exact Mass496.13
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc2OC)cc1
InChIInChI=1S/C25H24N2O7S/c1-3-32-20-9-6-18(7-10-20)27-35(29,30)24-15-19(8-12-22(24)31-2)26-25(28)13-5-17-4-11-21-23(14-17)34-16-33-21/h4-15,27H,3,16H2,1-2H3,(H,26,28)/b13-5+
InChIKeyVJQYRHZHRQHVGW-WLRTZDKTSA-N
XLogP4.28
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 9470081
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1122694
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
N-(1,3-benzodioxol-5-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433192
(E)-N-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 9042657
(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
CID 26852058
(E)-N-(1,3-benzodioxol-5-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31223315
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]oxolane-2-carboxamide
CID 43007147
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 46489533
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4844550

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide (CID 6065136) is (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc2OC)cc1.
What is the InChIKey of (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is VJQYRHZHRQHVGW-WLRTZDKTSA-N. The full InChI is InChI=1S/C25H24N2O7S/c1-3-32-20-9-6-18(7-10-20)27-35(29,30)24-15-19(8-12-22(24)31-2)26-25(28)13-5-17-4-11-21-23(14-17)34-16-33-21/h4-15,27H,3,16H2,1-2H3,(H,26,28)/b13-5+.
What are the key properties of (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide?
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 496.54 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 6065136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).