4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide

C22H19ClN2O5S2 — CID 44916209

About 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide

4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 44916209) has the molecular formula C22H19ClN2O5S2 and a molecular weight of 490.99 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
• PubChem CID: 44916209
• Molecular Formula: C22H19ClN2O5S2
• Molecular Weight: 490.99 g/mol
• Exact Mass: 490.04
• IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
• SMILES: COc1ccc2oc(-c3csc(NC(=O)CCCS(=O)(=O)c4ccc(Cl)cc4)n3)cc2c1
• InChI: InChI=1S/C22H19ClN2O5S2/c1-29-16-6-9-19-14(11-16)12-20(30-19)18-13-31-22(24-18)25-21(26)3-2-10-32(27,28)17-7-4-15(23)5-8-17/h4-9,11-13H,2-3,10H2,1H3,(H,24,25,26)
• InChIKey: CLOBHPZABHWSNS-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 98.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.99
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?

The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide (CID 44916209) is 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide.

What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?

The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide is COc1ccc2oc(-c3csc(NC(=O)CCCS(=O)(=O)c4ccc(Cl)cc4)n3)cc2c1.

What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?

The InChIKey is CLOBHPZABHWSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S2/c1-29-16-6-9-19-14(11-16)12-20(30-19)18-13-31-22(24-18)25-21(26)3-2-10-32(27,28)17-7-4-15(23)5-8-17/h4-9,11-13H,2-3,10H2,1H3,(H,24,25,26).

What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide?

4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 490.99 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)sulfonyl-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 44916209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).