N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide

C18H20F2N4O4S — CID 24981231

About N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide

N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide (PubChem CID 24981231) has the molecular formula C18H20F2N4O4S and a molecular weight of 426.45 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide
• PubChem CID: 24981231
• Molecular Formula: C18H20F2N4O4S
• Molecular Weight: 426.45 g/mol
• Exact Mass: 426.12
• IUPAC Name: N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide
• SMILES: CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCC(=O)Nc1cc(C)on1
• InChI: InChI=1S/C18H20F2N4O4S/c1-3-24(8-15(25)22-18-12(19)5-4-6-13(18)20)17(27)10-29-9-16(26)21-14-7-11(2)28-23-14/h4-7H,3,8-10H2,1-2H3,(H,22,25)(H,21,23,26)
• InChIKey: JZRZHOXKZDJXOB-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.45
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide?

The IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide (CID 24981231) is N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide?

The canonical SMILES for N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCC(=O)Nc1cc(C)on1.

What is the InChIKey of N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide?

The InChIKey is JZRZHOXKZDJXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O4S/c1-3-24(8-15(25)22-18-12(19)5-4-6-13(18)20)17(27)10-29-9-16(26)21-14-7-11(2)28-23-14/h4-7H,3,8-10H2,1-2H3,(H,22,25)(H,21,23,26).

What are the key properties of N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide?

N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide has a molecular weight of 426.45 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 24981231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).