1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone

C18H24N4O4S2 — CID 110829647

About 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone

1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone (PubChem CID 110829647) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone
• PubChem CID: 110829647
• Molecular Formula: C18H24N4O4S2
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.12
• IUPAC Name: 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone
• SMILES: CCc1nnc(NCC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)s1
• InChI: InChI=1S/C18H24N4O4S2/c1-4-17-20-21-18(27-17)19-9-16(23)14-6-5-7-15(8-14)28(24,25)22-10-12(2)26-13(3)11-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,21)
• InChIKey: KTTFBISQRALGCJ-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone?

The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone (CID 110829647) is 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone.

What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone?

The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone is CCc1nnc(NCC(=O)c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)s1.

What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone?

The InChIKey is KTTFBISQRALGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-4-17-20-21-18(27-17)19-9-16(23)14-6-5-7-15(8-14)28(24,25)22-10-12(2)26-13(3)11-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,21).

What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone?

1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone has a molecular weight of 424.55 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone is sourced from PubChem (CID 110829647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).