N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C23H18N4O4S3 — CID 3120733

About N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide

N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 3120733) has the molecular formula C23H18N4O4S3 and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
• PubChem CID: 3120733
• Molecular Formula: C23H18N4O4S3
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.05
• IUPAC Name: N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1
• InChI: InChI=1S/C23H18N4O4S3/c28-21(16-5-2-1-3-6-16)26-20(15-18-7-4-13-32-18)22(29)25-17-8-10-19(11-9-17)34(30,31)27-23-24-12-14-33-23/h1-15H,(H,24,27)(H,25,29)(H,26,28)
• InChIKey: RLJDFYHFLJUDSD-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 117.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?

The IUPAC name of N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 3120733) is N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

What is the SMILES notation for N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?

The canonical SMILES for N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1.

What is the InChIKey of N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?

The InChIKey is RLJDFYHFLJUDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S3/c28-21(16-5-2-1-3-6-16)26-20(15-18-7-4-13-32-18)22(29)25-17-8-10-19(11-9-17)34(30,31)27-23-24-12-14-33-23/h1-15H,(H,24,27)(H,25,29)(H,26,28).

What are the key properties of N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?

N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 510.62 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 3120733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).