cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide

C28H33N5O5S — CID 143073725

About cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide

cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide (PubChem CID 143073725) has the molecular formula C28H33N5O5S and a molecular weight of 551.67 g/mol. Its IUPAC name is cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide.

Molecular Properties

• Compound Name: cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
• PubChem CID: 143073725
• Molecular Formula: C28H33N5O5S
• Molecular Weight: 551.67 g/mol
• Exact Mass: 551.22
• IUPAC Name: cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide
• SMILES: C1CCCC1.CC[C@H](/N=C1\NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC)C(=O)c1nc(-c2ccccc2)no1
• InChI: InChI=1S/C23H23N5O5S.C5H10/c1-3-16(19(29)23-26-20(27-33-23)14-10-6-5-7-11-14)25-22(30)17(4-2)24-21-15-12-8-9-13-18(15)34(31,32)28-21;1-2-4-5-3-1/h5-13,16-17H,3-4H2,1-2H3,(H,24,28)(H,25,30);1-5H2/t16-,17-;/m0./s1
• InChIKey: OGZPLXWYGWFRLQ-QJHJCNPRSA-N
• XLogP: 4.28
• TPSA: 143.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.67
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide?

The IUPAC name of cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide (CID 143073725) is cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide.

What is the SMILES notation for cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide?

The canonical SMILES for cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide is C1CCCC1.CC[C@H](/N=C1\NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC)C(=O)c1nc(-c2ccccc2)no1.

What is the InChIKey of cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide?

The InChIKey is OGZPLXWYGWFRLQ-QJHJCNPRSA-N. The full InChI is InChI=1S/C23H23N5O5S.C5H10/c1-3-16(19(29)23-26-20(27-33-23)14-10-6-5-7-11-14)25-22(30)17(4-2)24-21-15-12-8-9-13-18(15)34(31,32)28-21;1-2-4-5-3-1/h5-13,16-17H,3-4H2,1-2H3,(H,24,28)(H,25,30);1-5H2/t16-,17-;/m0./s1.

What are the key properties of cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide?

cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide has a molecular weight of 551.67 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentane;(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2S)-1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide is sourced from PubChem (CID 143073725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).