2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide

C22H31F2N3O4S2 — CID 166664924

About 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide

2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide (PubChem CID 166664924) has the molecular formula C22H31F2N3O4S2 and a molecular weight of 503.64 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide
• PubChem CID: 166664924
• Molecular Formula: C22H31F2N3O4S2
• Molecular Weight: 503.64 g/mol
• Exact Mass: 503.17
• IUPAC Name: 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide
• SMILES: [H]N=S(=O)(NC(=O)Cc1c(C(C)C)cc(OC(F)F)cc1C(C)C)c1sc(C(C)(C)O)nc1C
• InChI: InChI=1S/C22H31F2N3O4S2/c1-11(2)15-8-14(31-21(23)24)9-16(12(3)4)17(15)10-18(28)27-33(25,30)19-13(5)26-20(32-19)22(6,7)29/h8-9,11-12,21,29H,10H2,1-7H3,(H2,25,27,28,30)
• InChIKey: XNCKVLXNAOBDOP-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 112.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.64
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide?

The IUPAC name of 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide (CID 166664924) is 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide.

What is the SMILES notation for 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide?

The canonical SMILES for 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide is [H]N=S(=O)(NC(=O)Cc1c(C(C)C)cc(OC(F)F)cc1C(C)C)c1sc(C(C)(C)O)nc1C.

What is the InChIKey of 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide?

The InChIKey is XNCKVLXNAOBDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O4S2/c1-11(2)15-8-14(31-21(23)24)9-16(12(3)4)17(15)10-18(28)27-33(25,30)19-13(5)26-20(32-19)22(6,7)29/h8-9,11-12,21,29H,10H2,1-7H3,(H2,25,27,28,30).

What are the key properties of 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide?

2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide has a molecular weight of 503.64 g/mol, XLogP of 5.21, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]-N-[[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]sulfonimidoyl]acetamide is sourced from PubChem (CID 166664924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).