(2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide

C22H24N2O2S2 — CID 51982668

About (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide

(2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 51982668) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide
• PubChem CID: 51982668
• Molecular Formula: C22H24N2O2S2
• Molecular Weight: 412.58 g/mol
• Exact Mass: 412.13
• IUPAC Name: (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide
• SMILES: CCOc1ccc2nc(S[C@@H](C(=O)NC3CCCC3)c3ccccc3)sc2c1
• InChI: InChI=1S/C22H24N2O2S2/c1-2-26-17-12-13-18-19(14-17)27-22(24-18)28-20(15-8-4-3-5-9-15)21(25)23-16-10-6-7-11-16/h3-5,8-9,12-14,16,20H,2,6-7,10-11H2,1H3,(H,23,25)/t20-/m1/s1
• InChIKey: LFHSTCLMZABLJX-HXUWFJFHSA-N
• XLogP: 5.59
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.58
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide (CID 51982668) is (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide is CCOc1ccc2nc(S[C@@H](C(=O)NC3CCCC3)c3ccccc3)sc2c1.

What is the InChIKey of (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide?

The InChIKey is LFHSTCLMZABLJX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N2O2S2/c1-2-26-17-12-13-18-19(14-17)27-22(24-18)28-20(15-8-4-3-5-9-15)21(25)23-16-10-6-7-11-16/h3-5,8-9,12-14,16,20H,2,6-7,10-11H2,1H3,(H,23,25)/t20-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide?

(2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 412.58 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 51982668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).