N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide

C24H15Cl2NO3S — CID 18830570

About N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide

N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide (PubChem CID 18830570) has the molecular formula C24H15Cl2NO3S and a molecular weight of 468.36 g/mol. Its IUPAC name is N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
• PubChem CID: 18830570
• Molecular Formula: C24H15Cl2NO3S
• Molecular Weight: 468.36 g/mol
• Exact Mass: 467.01
• IUPAC Name: N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
• SMILES: O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1cccc(NC(=O)c2cccs2)c1
• InChI: InChI=1S/C24H15Cl2NO3S/c25-17-11-16(12-18(26)14-17)22-9-7-20(30-22)6-8-21(28)15-3-1-4-19(13-15)27-24(29)23-5-2-10-31-23/h1-14H,(H,27,29)/b8-6+
• InChIKey: UJAKRBITKKAJQV-SOFGYWHQSA-N
• XLogP: 7.46
• TPSA: 59.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.36
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide (CID 18830570) is N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide is O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1cccc(NC(=O)c2cccs2)c1.

What is the InChIKey of N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide?

The InChIKey is UJAKRBITKKAJQV-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H15Cl2NO3S/c25-17-11-16(12-18(26)14-17)22-9-7-20(30-22)6-8-21(28)15-3-1-4-19(13-15)27-24(29)23-5-2-10-31-23/h1-14H,(H,27,29)/b8-6+.

What are the key properties of N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide?

N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 468.36 g/mol, XLogP of 7.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18830570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).