5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide

C21H25N5O3S2 — CID 122326162

About 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide

5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide (PubChem CID 122326162) has the molecular formula C21H25N5O3S2 and a molecular weight of 459.60 g/mol. Its IUPAC name is 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
• PubChem CID: 122326162
• Molecular Formula: C21H25N5O3S2
• Molecular Weight: 459.60 g/mol
• Exact Mass: 459.14
• IUPAC Name: 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
• SMILES: CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)s1
• InChI: InChI=1S/C21H25N5O3S2/c1-3-18-8-9-20(30-18)31(27,28)25-17-6-4-16(5-7-17)23-19-14-15(2)22-21(24-19)26-10-12-29-13-11-26/h4-9,14,25H,3,10-13H2,1-2H3,(H,22,23,24)
• InChIKey: XCEKARIUJYKJAJ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.60
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide?

The IUPAC name of 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide (CID 122326162) is 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide.

What is the SMILES notation for 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide?

The canonical SMILES for 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)s1.

What is the InChIKey of 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide?

The InChIKey is XCEKARIUJYKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S2/c1-3-18-8-9-20(30-18)31(27,28)25-17-6-4-16(5-7-17)23-19-14-15(2)22-21(24-19)26-10-12-29-13-11-26/h4-9,14,25H,3,10-13H2,1-2H3,(H,22,23,24).

What are the key properties of 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide?

5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide has a molecular weight of 459.60 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122326162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).