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

C17H22ClN5O4S — CID 23645704

IUPACN-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]methanesulfonamide
SMILESC[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C17H22ClN5O4S/c1-10(14(19)17(24)23-7-3-4-8-23)16-20-15(21-27-16)12-6-5-11(9-13(12)18)22-28(2,25)26/h5-6,9-10,14,22H,3-4,7-8,19H2,1-2H3/t10-,14-/m0/s1
InChIKeyBNMQXARXSAHNCZ-HZMBPMFUSA-N
MW427.91 g/mol
LogP1.81
Rot. Bonds6

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

N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]methanesulfonamide (PubChem CID 23645704) has the molecular formula C17H22ClN5O4S and a molecular weight of 427.91 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]-3-chlorophenyl]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]-3-chlorophenyl]methanesulfonamide
PubChem CID23645704
Molecular FormulaC17H22ClN5O4S
Molecular Weight427.91 g/mol
Exact Mass427.11
IUPAC NameN-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]methanesulfonamide
SMILESC[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)no1)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C17H22ClN5O4S/c1-10(14(19)17(24)23-7-3-4-8-23)16-20-15(21-27-16)12-6-5-11(9-13(12)18)22-28(2,25)26/h5-6,9-10,14,22H,3-4,7-8,19H2,1-2H3/t10-,14-/m0/s1
InChIKeyBNMQXARXSAHNCZ-HZMBPMFUSA-N
XLogP1.81
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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]-3-chlorophenyl]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]-3-chlorophenyl]methanesulfonamide (CID 23645704) is N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]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]-3-chlorophenyl]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]-3-chlorophenyl]methanesulfonamide is C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2Cl)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]-3-chlorophenyl]methanesulfonamide?
The InChIKey is BNMQXARXSAHNCZ-HZMBPMFUSA-N. The full InChI is InChI=1S/C17H22ClN5O4S/c1-10(14(19)17(24)23-7-3-4-8-23)16-20-15(21-27-16)12-6-5-11(9-13(12)18)22-28(2,25)26/h5-6,9-10,14,22H,3-4,7-8,19H2,1-2H3/t10-,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]-3-chlorophenyl]methanesulfonamide?
N-[4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]-3-chlorophenyl]methanesulfonamide has a molecular weight of 427.91 g/mol, XLogP of 1.81, 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]-3-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 23645704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).