(2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide

C26H30N2O3S — CID 1435899

About (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide

(2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 1435899) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 1435899
• Molecular Formula: C26H30N2O3S
• Molecular Weight: 450.60 g/mol
• Exact Mass: 450.20
• IUPAC Name: (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1cc(C)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1
• InChI: InChI=1S/C26H30N2O3S/c1-17-13-18(2)15-21(14-17)28(24(29)16-22-9-6-12-32-22)25(23-11-10-19(3)31-23)26(30)27-20-7-4-5-8-20/h6,9-15,20,25H,4-5,7-8,16H2,1-3H3,(H,27,30)/t25-/m1/s1
• InChIKey: JHIJXQFWHKWNNO-RUZDIDTESA-N
• XLogP: 5.64
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.60
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide (CID 1435899) is (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide is Cc1cc(C)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1.

What is the InChIKey of (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is JHIJXQFWHKWNNO-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-17-13-18(2)15-21(14-17)28(24(29)16-22-9-6-12-32-22)25(23-11-10-19(3)31-23)26(30)27-20-7-4-5-8-20/h6,9-15,20,25H,4-5,7-8,16H2,1-3H3,(H,27,30)/t25-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide?

(2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 450.60 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-(3,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 1435899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).