N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

C17H23N5O4S — CID 23645699

IUPACN-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESC[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C17H23N5O4S/c1-11(14(18)17(23)22-9-3-4-10-22)16-19-15(20-26-16)12-5-7-13(8-6-12)21-27(2,24)25/h5-8,11,14,21H,3-4,9-10,18H2,1-2H3/t11-,14-/m0/s1
InChIKeyWGWUUVBDHZLMNM-FZMZJTMJSA-N
MW393.47 g/mol
LogP1.16
Rot. Bonds6

About N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (PubChem CID 23645699) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
PubChem CID23645699
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC NameN-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESC[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C17H23N5O4S/c1-11(14(18)17(23)22-9-3-4-10-22)16-19-15(20-26-16)12-5-7-13(8-6-12)21-27(2,24)25/h5-8,11,14,21H,3-4,9-10,18H2,1-2H3/t11-,14-/m0/s1
InChIKeyWGWUUVBDHZLMNM-FZMZJTMJSA-N
XLogP1.16
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (CID 23645699) is N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1)[C@H](N)C(=O)N1CCCC1.
What is the InChIKey of N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The InChIKey is WGWUUVBDHZLMNM-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-11(14(18)17(23)22-9-3-4-10-22)16-19-15(20-26-16)12-5-7-13(8-6-12)21-27(2,24)25/h5-8,11,14,21H,3-4,9-10,18H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 23645699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).