(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide

C26H23N3O3S2 — CID 59736851

IUPAC(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1
InChIInChI=1S/C26H23N3O3S2/c1-18-4-12-22(13-5-18)34(31,32)29-21-10-6-19(7-11-21)8-15-26(30)28-24-17-20(9-14-23(24)27)25-3-2-16-33-25/h2-17,29H,27H2,1H3,(H,28,30)/b15-8+
InChIKeyWVRUEFURSPWYKJ-OVCLIPMQSA-N
MW489.62 g/mol
LogP5.76
Rot. Bonds7

About (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide

(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 59736851) has the molecular formula C26H23N3O3S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID59736851
Molecular FormulaC26H23N3O3S2
Molecular Weight489.62 g/mol
Exact Mass489.12
IUPAC Name(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1
InChIInChI=1S/C26H23N3O3S2/c1-18-4-12-22(13-5-18)34(31,32)29-21-10-6-19(7-11-21)8-15-26(30)28-24-17-20(9-14-23(24)27)25-3-2-16-33-25/h2-17,29H,27H2,1H3,(H,28,30)/b15-8+
InChIKeyWVRUEFURSPWYKJ-OVCLIPMQSA-N
XLogP5.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.76
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-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 85314407
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 59736742
(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
CID 59737518
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
(Z)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(3,4,5-trimethoxyanilino)methyl]phenyl]prop-2-enamide
CID 66894963
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
N-(2-amino-5-thiophen-2-ylphenyl)-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]prop-2-enamide
CID 69101116
(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26666081
[3-[(E)-3-(2-amino-5-thiophen-2-ylanilino)-3-oxoprop-1-enyl]phenyl]methyl-ethoxy-oxophosphanium
CID 140541716
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-(3-cyclopropyl-4-piperazin-1-ylphenyl)prop-2-enamide
CID 121341035

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 59736851) is (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide is Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1.
What is the InChIKey of (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is WVRUEFURSPWYKJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C26H23N3O3S2/c1-18-4-12-22(13-5-18)34(31,32)29-21-10-6-19(7-11-21)8-15-26(30)28-24-17-20(9-14-23(24)27)25-3-2-16-33-25/h2-17,29H,27H2,1H3,(H,28,30)/b15-8+.
What are the key properties of (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide?
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 489.62 g/mol, XLogP of 5.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 59736851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).