N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C16H18N4O4S — CID 126446149

About N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 126446149) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 126446149
• Molecular Formula: C16H18N4O4S
• Molecular Weight: 362.41 g/mol
• Exact Mass: 362.10
• IUPAC Name: N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: COc1ccccc1N1C[C@H](NC(=O)CSc2nnc(C)o2)CC1=O
• InChI: InChI=1S/C16H18N4O4S/c1-10-18-19-16(24-10)25-9-14(21)17-11-7-15(22)20(8-11)12-5-3-4-6-13(12)23-2/h3-6,11H,7-9H2,1-2H3,(H,17,21)/t11-/m1/s1
• InChIKey: SGYOBJDABDPVOS-LLVKDONJSA-N
• XLogP: 1.40
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.41
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 126446149) is N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccccc1N1C[C@H](NC(=O)CSc2nnc(C)o2)CC1=O.

What is the InChIKey of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is SGYOBJDABDPVOS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-10-18-19-16(24-10)25-9-14(21)17-11-7-15(22)20(8-11)12-5-3-4-6-13(12)23-2/h3-6,11H,7-9H2,1-2H3,(H,17,21)/t11-/m1/s1.

What are the key properties of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 126446149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).