[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate

C19H25N3O6S — CID 8629411

About [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate

[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate (PubChem CID 8629411) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate.

Molecular Properties

• Compound Name: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
• PubChem CID: 8629411
• Molecular Formula: C19H25N3O6S
• Molecular Weight: 423.49 g/mol
• Exact Mass: 423.15
• IUPAC Name: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
• SMILES: Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C
• InChI: InChI=1S/C19H25N3O6S/c1-10-8-7-9-11(2)16(10)20-18(23)15(6)27-19(24)13(4)22-29(25,26)17-12(3)21-28-14(17)5/h7-9,13,15,22H,1-6H3,(H,20,23)/t13-,15+/m0/s1
• InChIKey: MLFDWLAEUWBFTD-DZGCQCFKSA-N
• XLogP: 2.15
• TPSA: 127.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.49
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate?

The IUPAC name of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate (CID 8629411) is [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate.

What is the SMILES notation for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate?

The canonical SMILES for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate is Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C.

What is the InChIKey of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate?

The InChIKey is MLFDWLAEUWBFTD-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-10-8-7-9-11(2)16(10)20-18(23)15(6)27-19(24)13(4)22-29(25,26)17-12(3)21-28-14(17)5/h7-9,13,15,22H,1-6H3,(H,20,23)/t13-,15+/m0/s1.

What are the key properties of [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate?

[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate has a molecular weight of 423.49 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate is sourced from PubChem (CID 8629411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).