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

C27H23N3O3S — CID 10298829

IUPAC(E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H23N3O3S/c28-25-8-4-5-9-26(25)29-27(31)19-12-20-10-15-23(16-11-20)30-34(32,33)24-17-13-22(14-18-24)21-6-2-1-3-7-21/h1-19,30H,28H2,(H,29,31)/b19-12+
InChIKeyYFTBUWATCGNTPJ-XDHOZWIPSA-N
MW469.57 g/mol
LogP5.39
Rot. Bonds7

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

(E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide (PubChem CID 10298829) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide
PubChem CID10298829
Molecular FormulaC27H23N3O3S
Molecular Weight469.57 g/mol
Exact Mass469.15
IUPAC Name(E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H23N3O3S/c28-25-8-4-5-9-26(25)29-27(31)19-12-20-10-15-23(16-11-20)30-34(32,33)24-17-13-22(14-18-24)21-6-2-1-3-7-21/h1-19,30H,28H2,(H,29,31)/b19-12+
InChIKeyYFTBUWATCGNTPJ-XDHOZWIPSA-N
XLogP5.39
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide (CID 10298829) is (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide?
The InChIKey is YFTBUWATCGNTPJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C27H23N3O3S/c28-25-8-4-5-9-26(25)29-27(31)19-12-20-10-15-23(16-11-20)30-34(32,33)24-17-13-22(14-18-24)21-6-2-1-3-7-21/h1-19,30H,28H2,(H,29,31)/b19-12+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide has a molecular weight of 469.57 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enamide is sourced from PubChem (CID 10298829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).