N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H22N4O6S2 — CID 41022854

About N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 41022854) has the molecular formula C20H22N4O6S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 41022854
• Molecular Formula: C20H22N4O6S2
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.10
• IUPAC Name: N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: C[C@@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1ccco1
• InChI: InChI=1S/C20H22N4O6S2/c1-14(17-6-3-9-29-17)21-18(25)13-31-20-23-22-19(30-20)15-4-2-5-16(12-15)32(26,27)24-7-10-28-11-8-24/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,21,25)/t14-/m1/s1
• InChIKey: RTLFVMRICQJJIO-CQSZACIVSA-N
• XLogP: 2.32
• TPSA: 127.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 41022854) is N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is C[C@@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1ccco1.

What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is RTLFVMRICQJJIO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O6S2/c1-14(17-6-3-9-29-17)21-18(25)13-31-20-23-22-19(30-20)15-4-2-5-16(12-15)32(26,27)24-7-10-28-11-8-24/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,21,25)/t14-/m1/s1.

What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-[[5-(3-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 41022854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).