2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H24N4O3S2 — CID 43006723

About 2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 43006723) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• PubChem CID: 43006723
• Molecular Formula: C17H24N4O3S2
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.13
• IUPAC Name: 2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• SMILES: Cc1cc(NC(=O)C(C)SCC(=O)NCC(c2cccs2)N(C)C)no1
• InChI: InChI=1S/C17H24N4O3S2/c1-11-8-15(20-24-11)19-17(23)12(2)26-10-16(22)18-9-13(21(3)4)14-6-5-7-25-14/h5-8,12-13H,9-10H2,1-4H3,(H,18,22)(H,19,20,23)
• InChIKey: AZFHKVPQYIUUAI-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 43006723) is 2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

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

The canonical SMILES for 2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)SCC(=O)NCC(c2cccs2)N(C)C)no1.

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

The InChIKey is AZFHKVPQYIUUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-11-8-15(20-24-11)19-17(23)12(2)26-10-16(22)18-9-13(21(3)4)14-6-5-7-25-14/h5-8,12-13H,9-10H2,1-4H3,(H,18,22)(H,19,20,23).

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

2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 396.54 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 43006723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).