4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide

C24H23N3O6S — CID 6063617

IUPAC4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1OC
InChIInChI=1S/C24H23N3O6S/c1-32-21-8-3-5-16(23(21)33-2)11-14-22(28)26-18-12-9-17(10-13-18)24(29)27-19-6-4-7-20(15-19)34(25,30)31/h3-15H,1-2H3,(H,26,28)(H,27,29)(H2,25,30,31)/b14-11+
InChIKeyZTICWEFMACUXQV-SDNWHVSQSA-N
MW481.53 g/mol
LogP3.26
Rot. Bonds8

About 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide

4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide (PubChem CID 6063617) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide
PubChem CID6063617
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1OC
InChIInChI=1S/C24H23N3O6S/c1-32-21-8-3-5-16(23(21)33-2)11-14-22(28)26-18-12-9-17(10-13-18)24(29)27-19-6-4-7-20(15-19)34(25,30)31/h3-15H,1-2H3,(H,26,28)(H,27,29)(H2,25,30,31)/b14-11+
InChIKeyZTICWEFMACUXQV-SDNWHVSQSA-N
XLogP3.26
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
3,4-dimethoxy-N-[3-(methylsulfonyl)phenyl]benzamide
CID 1506534
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4,6-bis(trifluoromethyl)benzamide
CID 90467358
(E)-4-(3-(3,4-dimethoxyphenyl)acrylamido)benzamide
CID 717538
N-(4-{[(4-methoxyphenyl)amino]sulfonyl}phenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 1304193
N-(2-methoxybenzyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1305730
7,8-dimethoxy-1-oxo-N-(4-sulfamoylphenyl)-1H-isothiochromene-3-carboxamide
CID 1583356
N-(4-acetylphenyl)-4-{[(1E)-3-(3-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1926761
N-(4-benzenesulfonamidophenyl)-3,4-dimethoxybenzamide
CID 2140111
N-[2-(4-methoxyphenyl)ethyl]-4-{methyl[(4-methylphenyl)sulfonyl]amino}benzamide
CID 2198187
N-(4-methoxybenzyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}benzamide
CID 2198597

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide (CID 6063617) is 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide is COc1cccc(/C=C/C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1OC.
What is the InChIKey of 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is ZTICWEFMACUXQV-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-32-21-8-3-5-16(23(21)33-2)11-14-22(28)26-18-12-9-17(10-13-18)24(29)27-19-6-4-7-20(15-19)34(25,30)31/h3-15H,1-2H3,(H,26,28)(H,27,29)(H2,25,30,31)/b14-11+.
What are the key properties of 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide?
4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 481.53 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 6063617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).