2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide

C20H18F3N3O2S — CID 122438808

About 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide

2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide (PubChem CID 122438808) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide.

Molecular Properties

• Compound Name: 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
• PubChem CID: 122438808
• Molecular Formula: C20H18F3N3O2S
• Molecular Weight: 421.44 g/mol
• Exact Mass: 421.11
• IUPAC Name: 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide
• SMILES: O=C(N[C@H]1CCC[C@H]1Nc1nc2ccc(F)cc2s1)c1ccccc1OC(F)F
• InChI: InChI=1S/C20H18F3N3O2S/c21-11-8-9-15-17(10-11)29-20(26-15)25-14-6-3-5-13(14)24-18(27)12-4-1-2-7-16(12)28-19(22)23/h1-2,4,7-10,13-14,19H,3,5-6H2,(H,24,27)(H,25,26)/t13-,14+/m0/s1
• InChIKey: SJSOJCVEYKIJFW-UONOGXRCSA-N
• XLogP: 4.80
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.44
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide?

The IUPAC name of 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide (CID 122438808) is 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide.

What is the SMILES notation for 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide?

The canonical SMILES for 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide is O=C(N[C@H]1CCC[C@H]1Nc1nc2ccc(F)cc2s1)c1ccccc1OC(F)F.

What is the InChIKey of 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide?

The InChIKey is SJSOJCVEYKIJFW-UONOGXRCSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c21-11-8-9-15-17(10-11)29-20(26-15)25-14-6-3-5-13(14)24-18(27)12-4-1-2-7-16(12)28-19(22)23/h1-2,4,7-10,13-14,19H,3,5-6H2,(H,24,27)(H,25,26)/t13-,14+/m0/s1.

What are the key properties of 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide?

2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide has a molecular weight of 421.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethoxy)-N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]benzamide is sourced from PubChem (CID 122438808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).