(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide

C26H22N4OS — CID 142065104

IUPAC(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(NSc2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C26H22N4OS/c27-23-8-4-5-9-24(23)29-26(31)17-11-19-10-16-25(28-18-19)30-32-22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-18H,27H2,(H,28,30)(H,29,31)/b17-11+
InChIKeyGQLGTHXVTKFLDD-GZTJUZNOSA-N
MW438.56 g/mol
LogP6.10
Rot. Bonds7

About (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide (PubChem CID 142065104) has the molecular formula C26H22N4OS and a molecular weight of 438.56 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide
PubChem CID142065104
Molecular FormulaC26H22N4OS
Molecular Weight438.56 g/mol
Exact Mass438.15
IUPAC Name(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(NSc2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C26H22N4OS/c27-23-8-4-5-9-24(23)29-26(31)17-11-19-10-16-25(28-18-19)30-32-22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-18H,27H2,(H,28,30)(H,29,31)/b17-11+
InChIKeyGQLGTHXVTKFLDD-GZTJUZNOSA-N
XLogP6.10
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 56.10
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-3-[6-[amino(2-phenylethyl)amino]-3-pyridinyl]prop-2-enamide
CID 174460618
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
N-(2-aminophenyl)-3-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]prop-2-enamide
CID 66893989
(E)-N-(2-aminophenyl)-3-[6-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]-3-pyridinyl]prop-2-enamide
CID 20786034
(E)-N-(2-aminophenyl)-3-[1-[(E)-2-phenylethenyl]pyrazol-4-yl]prop-2-enamide
CID 126611433
N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
CID 73388672
N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfanylamino]phenyl]prop-2-ynamide
CID 142065123
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
(E)-N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfinylcarbonylamino]phenyl]prop-2-enamide
CID 142166420
N-(2-aminophenyl)-3-[4-[1-(2-hydroxyethylamino)-2-oxo-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]phenyl]prop-2-enamide
CID 68511102

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide (CID 142065104) is (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1ccc(NSc2ccc(-c3ccccc3)cc2)nc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide?
The InChIKey is GQLGTHXVTKFLDD-GZTJUZNOSA-N. The full InChI is InChI=1S/C26H22N4OS/c27-23-8-4-5-9-24(23)29-26(31)17-11-19-10-16-25(28-18-19)30-32-22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-18H,27H2,(H,28,30)(H,29,31)/b17-11+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide has a molecular weight of 438.56 g/mol, XLogP of 6.10, 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-[6-[(4-phenylphenyl)sulfanylamino]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 142065104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).