4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide

C23H26N2O3S2 — CID 41273352

About 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide

4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 41273352) has the molecular formula C23H26N2O3S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

• Compound Name: 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
• PubChem CID: 41273352
• Molecular Formula: C23H26N2O3S2
• Molecular Weight: 442.61 g/mol
• Exact Mass: 442.14
• IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
• SMILES: Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1
• InChI: InChI=1S/C23H26N2O3S2/c1-15-7-9-19(10-8-15)30(27,28)11-5-6-21(26)25-23-24-20(14-29-23)22-17(3)12-16(2)13-18(22)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,24,25,26)
• InChIKey: UNBAGNMFLYCZTH-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 76.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.61
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?

The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide (CID 41273352) is 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide.

What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?

The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide is Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1.

What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?

The InChIKey is UNBAGNMFLYCZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S2/c1-15-7-9-19(10-8-15)30(27,28)11-5-6-21(26)25-23-24-20(14-29-23)22-17(3)12-16(2)13-18(22)4/h7-10,12-14H,5-6,11H2,1-4H3,(H,24,25,26).

What are the key properties of 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide?

4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 442.61 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methylphenyl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 41273352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).