N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C24H19N3O4S2 — CID 27845138

About N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 27845138) has the molecular formula C24H19N3O4S2 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
• PubChem CID: 27845138
• Molecular Formula: C24H19N3O4S2
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.08
• IUPAC Name: N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
• SMILES: O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cccc(NC(=O)c2cccs2)c1
• InChI: InChI=1S/C24H19N3O4S2/c28-21(17-8-4-9-18(15-17)26-22(29)19-10-5-13-32-19)25-11-12-27-23(30)20(33-24(27)31)14-16-6-2-1-3-7-16/h1-10,13-15H,11-12H2,(H,25,28)(H,26,29)/b20-14-
• InChIKey: DTJRYPGWAVOSEW-ZHZULCJRSA-N
• XLogP: 4.47
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 27845138) is N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cccc(NC(=O)c2cccs2)c1.

What is the InChIKey of N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?

The InChIKey is DTJRYPGWAVOSEW-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H19N3O4S2/c28-21(17-8-4-9-18(15-17)26-22(29)19-10-5-13-32-19)25-11-12-27-23(30)20(33-24(27)31)14-16-6-2-1-3-7-16/h1-10,13-15H,11-12H2,(H,25,28)(H,26,29)/b20-14-.

What are the key properties of N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide?

N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27845138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).