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

C16H20N4O4S — CID 154578640

IUPAC(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
SMILESCNC(=O)[C@H]1C[C@H](NS(C)(=O)=O)[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=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
InChIKeyHDLZKHSQIAYGFI-UPJWGTAASA-N
MW364.43 g/mol
LogP0.89
Rot. Bonds5

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 CID154578640
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name(1R,3S,4R)-3-(methanesulfonamido)-N-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
SMILESCNC(=O)[C@H]1C[C@H](NS(C)(=O)=O)[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=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
InChIKeyHDLZKHSQIAYGFI-UPJWGTAASA-N
XLogP0.89
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).