2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide

C23H19Cl3N2O3S — CID 143062271

About 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide

2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 143062271) has the molecular formula C23H19Cl3N2O3S and a molecular weight of 509.84 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 143062271
• Molecular Formula: C23H19Cl3N2O3S
• Molecular Weight: 509.84 g/mol
• Exact Mass: 508.02
• IUPAC Name: 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide
• SMILES: C/C=C(/CC)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)c(OC)c2)n1
• InChI: InChI=1S/C23H19Cl3N2O3S/c1-4-13(5-2)21(29)19-12-32-23(27-19)28(15-7-9-17(25)20(11-15)31-3)22(30)16-8-6-14(24)10-18(16)26/h4,6-12H,5H2,1-3H3/b13-4-
• InChIKey: FOIRYQJAQCYDMR-PQMHYQBVSA-N
• XLogP: 7.63
• TPSA: 59.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.84
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide (CID 143062271) is 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide is C/C=C(/CC)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)c(OC)c2)n1.

What is the InChIKey of 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is FOIRYQJAQCYDMR-PQMHYQBVSA-N. The full InChI is InChI=1S/C23H19Cl3N2O3S/c1-4-13(5-2)21(29)19-12-32-23(27-19)28(15-7-9-17(25)20(11-15)31-3)22(30)16-8-6-14(24)10-18(16)26/h4,6-12H,5H2,1-3H3/b13-4-.

What are the key properties of 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide?

2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 509.84 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 143062271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).