3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C23H22N2O5S — CID 5114432

IUPAC3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccccc3OC)cc2)cc1
InChIInChI=1S/C23H22N2O5S/c1-29-20-12-8-19(9-13-20)25-31(27,28)21-14-10-18(11-15-21)24-23(26)16-7-17-5-3-4-6-22(17)30-2/h3-16,25H,1-2H3,(H,24,26)
InChIKeyVHRGOSJDQPGJIP-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.16
Rot. Bonds8

About 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 5114432) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID5114432
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccccc3OC)cc2)cc1
InChIInChI=1S/C23H22N2O5S/c1-29-20-12-8-19(9-13-20)25-31(27,28)21-14-10-18(11-15-21)24-23(26)16-7-17-5-3-4-6-22(17)30-2/h3-16,25H,1-2H3,(H,24,26)
InChIKeyVHRGOSJDQPGJIP-UHFFFAOYSA-N
XLogP4.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456
3-(2-methoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 4684839
3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4276239
3-(2-methoxyphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1182198
3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 5044633
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
4-ethoxy-N-[4-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 55349799
3-(2-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4506725
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
(E)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17109155
(E)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186907

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 5114432) is 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccccc3OC)cc2)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is VHRGOSJDQPGJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-29-20-12-8-19(9-13-20)25-31(27,28)21-14-10-18(11-15-21)24-23(26)16-7-17-5-3-4-6-22(17)30-2/h3-16,25H,1-2H3,(H,24,26).
What are the key properties of 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 438.51 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 5114432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).