2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H24N4O5S — CID 43061061

About 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 43061061) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• PubChem CID: 43061061
• Molecular Formula: C19H24N4O5S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.15
• IUPAC Name: 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• SMILES: Cc1cc(NC(=O)C(C)SCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)no1
• InChI: InChI=1S/C19H24N4O5S/c1-12-9-16(22-28-12)21-19(26)13(2)29-11-17(24)20-14-5-7-15(8-6-14)27-10-18(25)23(3)4/h5-9,13H,10-11H2,1-4H3,(H,20,24)(H,21,22,26)
• InChIKey: MIEDCHBDDVWJIA-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The IUPAC name of 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 43061061) is 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

What is the SMILES notation for 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The canonical SMILES for 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)SCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)no1.

What is the InChIKey of 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The InChIKey is MIEDCHBDDVWJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-12-9-16(22-28-12)21-19(26)13(2)29-11-17(24)20-14-5-7-15(8-6-14)27-10-18(25)23(3)4/h5-9,13H,10-11H2,1-4H3,(H,20,24)(H,21,22,26).

What are the key properties of 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 420.49 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 43061061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).