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

C16H21N5O4S — CID 23645697

IUPAC4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESC[C@H](c1nc(-c2ccc(S(N)(=O)=O)cc2)no1)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C16H21N5O4S/c1-10(13(17)16(22)21-8-2-3-9-21)15-19-14(20-25-15)11-4-6-12(7-5-11)26(18,23)24/h4-7,10,13H,2-3,8-9,17H2,1H3,(H2,18,23,24)/t10-,13-/m0/s1
InChIKeyIGGQECSQOLALAQ-GWCFXTLKSA-N
MW379.44 g/mol
LogP0.44
Rot. Bonds5

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

4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 23645697) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID23645697
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC Name4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESC[C@H](c1nc(-c2ccc(S(N)(=O)=O)cc2)no1)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C16H21N5O4S/c1-10(13(17)16(22)21-8-2-3-9-21)15-19-14(20-25-15)11-4-6-12(7-5-11)26(18,23)24/h4-7,10,13H,2-3,8-9,17H2,1H3,(H2,18,23,24)/t10-,13-/m0/s1
InChIKeyIGGQECSQOLALAQ-GWCFXTLKSA-N
XLogP0.44
TPSA145.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 23645697) is 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is C[C@H](c1nc(-c2ccc(S(N)(=O)=O)cc2)no1)[C@H](N)C(=O)N1CCCC1.
What is the InChIKey of 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is IGGQECSQOLALAQ-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-10(13(17)16(22)21-8-2-3-9-21)15-19-14(20-25-15)11-4-6-12(7-5-11)26(18,23)24/h4-7,10,13H,2-3,8-9,17H2,1H3,(H2,18,23,24)/t10-,13-/m0/s1.
What are the key properties of 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2S,3S)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 23645697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).