N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

C23H21N3O4S2 — CID 46667755

About N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 46667755) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
• PubChem CID: 46667755
• Molecular Formula: C23H21N3O4S2
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.10
• IUPAC Name: N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
• SMILES: CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccc(-c4ccccc4)o3)n2)cc1
• InChI: InChI=1S/C23H21N3O4S2/c1-32(28,29)26-18-9-7-16(8-10-18)20-15-31-23(24-20)25-22(27)14-12-19-11-13-21(30-19)17-5-3-2-4-6-17/h2-11,13,15,26H,12,14H2,1H3,(H,24,25,27)
• InChIKey: FIDFLCHVWKPRDJ-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 101.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (CID 46667755) is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.

What is the SMILES notation for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The canonical SMILES for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccc(-c4ccccc4)o3)n2)cc1.

What is the InChIKey of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

The InChIKey is FIDFLCHVWKPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-32(28,29)26-18-9-7-16(8-10-18)20-15-31-23(24-20)25-22(27)14-12-19-11-13-21(30-19)17-5-3-2-4-6-17/h2-11,13,15,26H,12,14H2,1H3,(H,24,25,27).

What are the key properties of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 467.57 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 46667755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).