(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

C₁₆H₂₀N₄O₄S — CID 154578640

About (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 154578640) has the molecular formula C₁₆H₂₀N₄O₄S and a molecular weight of 364.43 g/mol. Its IUPAC name is (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
• PubChem CID: 154578640
• Molecular Formula: C₁₆H₂₀N₄O₄S
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.12
• IUPAC Name: (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
• SMILES: CNC(=O)[C@H]1C[C@H](NS(C)(=O)=O)[C@H](c2nc(-c3ccccc3)no2)C1
• InChI: InChI=1S/C16H20N4O4S/c1-17-15(21)11-8-12(13(9-11)20-25(2,22)23)16-18-14(19-24-16)10-6-4-3-5-7-10/h3-7,11-13,20H,8-9H2,1-2H3,(H,17,21)/t11-,12-,13+/m1/s1
• InChIKey: HDLZKHSQIAYGFI-UPJWGTAASA-N
• XLogP: 0.89
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?

The IUPAC name of (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide (CID 154578640) is (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide.

What is the SMILES notation for (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?

The canonical SMILES for (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide is CNC(=O)[C@H]1C[C@H](NS(C)(=O)=O)[C@H](c2nc(-c3ccccc3)no2)C1.

What is the InChIKey of (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?

The InChIKey is HDLZKHSQIAYGFI-UPJWGTAASA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-17-15(21)11-8-12(13(9-11)20-25(2,22)23)16-18-14(19-24-16)10-6-4-3-5-7-10/h3-7,11-13,20H,8-9H2,1-2H3,(H,17,21)/t11-,12-,13+/m1/s1.

What are the key properties of (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?

(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 154578640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154578640 — identifiers, structure, computed properties (public domain)

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