(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

C24H22ClN3O3S — CID 24600293

About (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 24600293) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• PubChem CID: 24600293
• Molecular Formula: C24H22ClN3O3S
• Molecular Weight: 467.98 g/mol
• Exact Mass: 467.11
• IUPAC Name: (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
• SMILES: Cc1nc(COc2ccc(/C=C/C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2)cs1
• InChI: InChI=1S/C24H22ClN3O3S/c1-16-26-19(15-32-16)14-31-20-8-4-17(5-9-20)6-11-23(29)27-18-7-10-22(21(25)13-18)28-12-2-3-24(28)30/h4-11,13,15H,2-3,12,14H2,1H3,(H,27,29)/b11-6+
• InChIKey: MCWLLKAKTYRVBO-IZZDOVSWSA-N
• XLogP: 5.46
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.98
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
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 (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (CID 24600293) is (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is Cc1nc(COc2ccc(/C=C/C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)cc2)cs1.

What is the InChIKey of (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

The InChIKey is MCWLLKAKTYRVBO-IZZDOVSWSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-16-26-19(15-32-16)14-31-20-8-4-17(5-9-20)6-11-23(29)27-18-7-10-22(21(25)13-18)28-12-2-3-24(28)30/h4-11,13,15H,2-3,12,14H2,1H3,(H,27,29)/b11-6+.

What are the key properties of (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?

(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 467.98 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 24600293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).