(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

C31H24N2O2S — CID 108751458

IUPAC(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H24N2O2S/c1-35-27-18-12-22(13-19-27)20-28(23-8-4-2-5-9-23)30(34)32-26-16-14-24(15-17-26)29-21-36-31(33-29)25-10-6-3-7-11-25/h2-21H,1H3,(H,32,34)/b28-20+
InChIKeyGXVYRMQWUFGUOR-VFCFBJKWSA-N
MW488.61 g/mol
LogP7.66
Rot. Bonds7

About (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (PubChem CID 108751458) has the molecular formula C31H24N2O2S and a molecular weight of 488.61 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
PubChem CID108751458
Molecular FormulaC31H24N2O2S
Molecular Weight488.61 g/mol
Exact Mass488.16
IUPAC Name(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H24N2O2S/c1-35-27-18-12-22(13-19-27)20-28(23-8-4-2-5-9-23)30(34)32-26-16-14-24(15-17-26)29-21-36-31(33-29)25-10-6-3-7-11-25/h2-21H,1H3,(H,32,34)/b28-20+
InChIKeyGXVYRMQWUFGUOR-VFCFBJKWSA-N
XLogP7.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-3-(3,4-dimethoxyphenyl)-2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108769745
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770511
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (CID 108751458) is (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is COc1ccc(/C=C(/C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The InChIKey is GXVYRMQWUFGUOR-VFCFBJKWSA-N. The full InChI is InChI=1S/C31H24N2O2S/c1-35-27-18-12-22(13-19-27)20-28(23-8-4-2-5-9-23)30(34)32-26-16-14-24(15-17-26)29-21-36-31(33-29)25-10-6-3-7-11-25/h2-21H,1H3,(H,32,34)/b28-20+.
What are the key properties of (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide has a molecular weight of 488.61 g/mol, XLogP of 7.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 108751458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).