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

C22H21N3O4S — CID 11112665

IUPAC(E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-29-18-11-13-19(14-12-18)30(27,28)25-17-9-6-16(7-10-17)8-15-22(26)24-21-5-3-2-4-20(21)23/h2-15,25H,23H2,1H3,(H,24,26)/b15-8+
InChIKeyNWKORADIVJOWGD-OVCLIPMQSA-N
MW423.49 g/mol
LogP3.73
Rot. Bonds7

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

(E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 11112665) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID11112665
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name(E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-29-18-11-13-19(14-12-18)30(27,28)25-17-9-6-16(7-10-17)8-15-22(26)24-21-5-3-2-4-20(21)23/h2-15,25H,23H2,1H3,(H,24,26)/b15-8+
InChIKeyNWKORADIVJOWGD-OVCLIPMQSA-N
XLogP3.73
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
(2E)-2-cyano-3-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070922
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1359892
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 11112665) is (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide is COc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is NWKORADIVJOWGD-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-29-18-11-13-19(14-12-18)30(27,28)25-17-9-6-16(7-10-17)8-15-22(26)24-21-5-3-2-4-20(21)23/h2-15,25H,23H2,1H3,(H,24,26)/b15-8+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 423.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 11112665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).