(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide

C23H23N3O5S — CID 10226045

IUPAC(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1OC
InChIInChI=1S/C23H23N3O5S/c1-30-21-13-12-18(15-22(21)31-2)32(28,29)26-17-10-7-16(8-11-17)9-14-23(27)25-20-6-4-3-5-19(20)24/h3-15,26H,24H2,1-2H3,(H,25,27)/b14-9+
InChIKeyDNINPOWJJPWIQI-NTEUORMPSA-N
MW453.52 g/mol
LogP3.74
Rot. Bonds8

About (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 10226045) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID10226045
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1OC
InChIInChI=1S/C23H23N3O5S/c1-30-21-13-12-18(15-22(21)31-2)32(28,29)26-17-10-7-16(8-11-17)9-14-23(27)25-20-6-4-3-5-19(20)24/h3-15,26H,24H2,1-2H3,(H,25,27)/b14-9+
InChIKeyDNINPOWJJPWIQI-NTEUORMPSA-N
XLogP3.74
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
NJ65Yjm5PE
CID 5353770
N-(2-Amino-phenyl)-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 11112665
(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11406292
(E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 922062
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)acetamide
CID 1107812
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 1109434
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 1123807
N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methyl-N~1~-(4-methylphenyl)glycinamide
CID 1316104
N-[(2-Methoxyphenyl)methyl]-2-[N-(4-methylphenyl)4-methoxybenzenesulfonamido]acetamide
CID 1324421

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 10226045) is (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide is COc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1OC.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is DNINPOWJJPWIQI-NTEUORMPSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-30-21-13-12-18(15-22(21)31-2)32(28,29)26-17-10-7-16(8-11-17)9-14-23(27)25-20-6-4-3-5-19(20)24/h3-15,26H,24H2,1-2H3,(H,25,27)/b14-9+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 453.52 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 10226045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).