(Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide

C22H18ClN3O3S — CID 25423527

IUPAC(Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-29-18-9-4-15(5-10-18)6-11-20(27)25-19(14-16-2-7-17(23)8-3-16)21(28)26-22-24-12-13-30-22/h2-14H,1H3,(H,25,27)(H,24,26,28)/b11-6+,19-14-
InChIKeyNLZNZYBWJCLMTC-LVUASEOMSA-N
MW439.92 g/mol
LogP4.61
Rot. Bonds7

About (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide

(Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 25423527) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID25423527
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name(Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-29-18-9-4-15(5-10-18)6-11-20(27)25-19(14-16-2-7-17(23)8-3-16)21(28)26-22-24-12-13-30-22/h2-14H,1H3,(H,25,27)(H,24,26,28)/b11-6+,19-14-
InChIKeyNLZNZYBWJCLMTC-LVUASEOMSA-N
XLogP4.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-bromo-N-[(Z)-1-(4-chlorophenyl)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide
CID 25424767
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3932279
(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 92527231
2-[[(E)-3-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]acetate
CID 7381134
N-[1-(4-methoxyphenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide
CID 3114468
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3312224
N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[4-[(2R)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 124558376
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 25423527) is (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is NLZNZYBWJCLMTC-LVUASEOMSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-29-18-9-4-15(5-10-18)6-11-20(27)25-19(14-16-2-7-17(23)8-3-16)21(28)26-22-24-12-13-30-22/h2-14H,1H3,(H,25,27)(H,24,26,28)/b11-6+,19-14-.
What are the key properties of (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide?
(Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 439.92 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 25423527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).