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

C21H21ClN2O4S2 — CID 41274662

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

4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 41274662) has the molecular formula C21H21ClN2O4S2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide
• PubChem CID: 41274662
• Molecular Formula: C21H21ClN2O4S2
• Molecular Weight: 465.00 g/mol
• Exact Mass: 464.06
• IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide
• SMILES: COc1ccc(-c2csc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)n2)cc1C
• InChI: InChI=1S/C21H21ClN2O4S2/c1-14-12-15(5-10-19(14)28-2)18-13-29-21(23-18)24-20(25)4-3-11-30(26,27)17-8-6-16(22)7-9-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24,25)
• InChIKey: LTTCYUUHIGIVDB-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 85.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.00
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide (CID 41274662) is 4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide.

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

The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide is COc1ccc(-c2csc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)n2)cc1C.

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

The InChIKey is LTTCYUUHIGIVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4S2/c1-14-12-15(5-10-19(14)28-2)18-13-29-21(23-18)24-20(25)4-3-11-30(26,27)17-8-6-16(22)7-9-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24,25).

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

4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 465.00 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 41274662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).