4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide

C106H125F3N12O13S5 — CID 158436828

About 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide

4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 158436828) has the molecular formula C106H125F3N12O13S5 and a molecular weight of 1992.57 g/mol. Its IUPAC name is 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide
• PubChem CID: 158436828
• Molecular Formula: C106H125F3N12O13S5
• Molecular Weight: 1992.57 g/mol
• Exact Mass: 1990.80
• IUPAC Name: 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide
• SMILES: CCCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)C1CN(C(C)=O)CCO1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1ccccc1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)c1nc2ccccc2s1
• InChI: InChI=1S/C22H21F3N2O2S.C22H29N3O3S.C21H27N3O4S.C21H22N2O2S.C20H26N2O2S/c1-2-3-4-12-17(19(28)21-27-16-11-7-8-13-18(16)30-21)26-20(29)14-9-5-6-10-15(14)22(23,24)25;1-3-4-5-11-18(20(27)22-24-17-10-6-7-12-19(17)29-22)23-21(28)16-9-8-13-25(14-16)15(2)26;1-3-4-5-9-16(19(26)21-23-15-8-6-7-10-18(15)29-21)22-20(27)17-13-24(14(2)25)11-12-28-17;1-2-3-5-13-17(22-20(25)15-10-6-4-7-11-15)19(24)21-23-16-12-8-9-14-18(16)26-21;1-2-3-4-12-16(21-19(24)14-9-5-6-10-14)18(23)20-22-15-11-7-8-13-17(15)25-20/h5-11,13,17H,2-4,12H2,1H3,(H,26,29);6-7,10,12,16,18H,3-5,8-9,11,13-14H2,1-2H3,(H,23,28);6-8,10,16-17H,3-5,9,11-13H2,1-2H3,(H,22,27);4,6-12,14,17H,2-3,5,13H2,1H3,(H,22,25);7-8,11,13-14,16H,2-6,9-10,12H2,1H3,(H,21,24)/t17-;16-,18-;16-,17?;17-;16-/m00000/s1
• InChIKey: HCIFXFUQSBIJPZ-PWIGADIASA-N
• XLogP: 22.06
• TPSA: 345.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 40
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1992.57
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide?

The IUPAC name of 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide (CID 158436828) is 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide?

The canonical SMILES for 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide is CCCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)C1CN(C(C)=O)CCO1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1ccccc1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)c1nc2ccccc2s1.

What is the InChIKey of 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide?

The InChIKey is HCIFXFUQSBIJPZ-PWIGADIASA-N. The full InChI is InChI=1S/C22H21F3N2O2S.C22H29N3O3S.C21H27N3O4S.C21H22N2O2S.C20H26N2O2S/c1-2-3-4-12-17(19(28)21-27-16-11-7-8-13-18(16)30-21)26-20(29)14-9-5-6-10-15(14)22(23,24)25;1-3-4-5-11-18(20(27)22-24-17-10-6-7-12-19(17)29-22)23-21(28)16-9-8-13-25(14-16)15(2)26;1-3-4-5-9-16(19(26)21-23-15-8-6-7-10-18(15)29-21)22-20(27)17-13-24(14(2)25)11-12-28-17;1-2-3-5-13-17(22-20(25)15-10-6-4-7-11-15)19(24)21-23-16-12-8-9-14-18(16)26-21;1-2-3-4-12-16(21-19(24)14-9-5-6-10-14)18(23)20-22-15-11-7-8-13-17(15)25-20/h5-11,13,17H,2-4,12H2,1H3,(H,26,29);6-7,10,12,16,18H,3-5,8-9,11,13-14H2,1-2H3,(H,23,28);6-8,10,16-17H,3-5,9,11-13H2,1-2H3,(H,22,27);4,6-12,14,17H,2-3,5,13H2,1H3,(H,22,25);7-8,11,13-14,16H,2-6,9-10,12H2,1H3,(H,21,24)/t17-;16-,18-;16-,17?;17-;16-/m00000/s1.

What are the key properties of 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide?

4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 1992.57 g/mol, XLogP of 22.06, 40 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]cyclopentanecarboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 158436828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).