2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide

C23H22N4O3S2 — CID 24563011

About 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide

2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide (PubChem CID 24563011) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
• PubChem CID: 24563011
• Molecular Formula: C23H22N4O3S2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.11
• IUPAC Name: 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
• SMILES: Cc1ccc2nc(C)c(C(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)cc2c1
• InChI: InChI=1S/C23H22N4O3S2/c1-14-5-10-20-17(11-14)12-19(15(2)24-20)22(28)26-23-25-21(13-31-23)16-6-8-18(9-7-16)27(3)32(4,29)30/h5-13H,1-4H3,(H,25,26,28)
• InChIKey: ULFBQQIIERFBEX-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide?

The IUPAC name of 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide (CID 24563011) is 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide.

What is the SMILES notation for 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide?

The canonical SMILES for 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)cc2c1.

What is the InChIKey of 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide?

The InChIKey is ULFBQQIIERFBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-14-5-10-20-17(11-14)12-19(15(2)24-20)22(28)26-23-25-21(13-31-23)16-6-8-18(9-7-16)27(3)32(4,29)30/h5-13H,1-4H3,(H,25,26,28).

What are the key properties of 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide?

2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 24563011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).