N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide

C26H24ClN3O4S — CID 91009458

About N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 91009458) has the molecular formula C26H24ClN3O4S and a molecular weight of 510.02 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
• PubChem CID: 91009458
• Molecular Formula: C26H24ClN3O4S
• Molecular Weight: 510.02 g/mol
• Exact Mass: 509.12
• IUPAC Name: N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
• SMILES: O=C(NC(Cc1ccc(Cl)cc1)C(=O)NC12CCCC1OCC2=O)c1csc(-c2ccccc2)n1
• InChI: InChI=1S/C26H24ClN3O4S/c27-18-10-8-16(9-11-18)13-19(24(33)30-26-12-4-7-22(26)34-14-21(26)31)28-23(32)20-15-35-25(29-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,15,19,22H,4,7,12-14H2,(H,28,32)(H,30,33)
• InChIKey: ROMPJJBKBDXDNF-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.02
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 91009458) is N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NC(Cc1ccc(Cl)cc1)C(=O)NC12CCCC1OCC2=O)c1csc(-c2ccccc2)n1.

What is the InChIKey of N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?

The InChIKey is ROMPJJBKBDXDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4S/c27-18-10-8-16(9-11-18)13-19(24(33)30-26-12-4-7-22(26)34-14-21(26)31)28-23(32)20-15-35-25(29-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,15,19,22H,4,7,12-14H2,(H,28,32)(H,30,33).

What are the key properties of N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?

N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 510.02 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91009458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).