(2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

C26H30N2O2S2 — CID 1435992

About (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

(2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 1435992) has the molecular formula C26H30N2O2S2 and a molecular weight of 466.67 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
• PubChem CID: 1435992
• Molecular Formula: C26H30N2O2S2
• Molecular Weight: 466.67 g/mol
• Exact Mass: 466.17
• IUPAC Name: (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
• SMILES: Cc1cc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1
• InChI: InChI=1S/C26H30N2O2S2/c1-17-14-18(2)24(19(3)15-17)28(23(29)16-21-10-6-12-31-21)25(22-11-7-13-32-22)26(30)27-20-8-4-5-9-20/h6-7,10-15,20,25H,4-5,8-9,16H2,1-3H3,(H,27,30)/t25-/m1/s1
• InChIKey: IUALTSUXMQZUFW-RUZDIDTESA-N
• XLogP: 6.11
• TPSA: 49.41 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	466.67
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The IUPAC name of (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 1435992) is (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

What is the SMILES notation for (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The canonical SMILES for (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is Cc1cc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1.

What is the InChIKey of (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The InChIKey is IUALTSUXMQZUFW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N2O2S2/c1-17-14-18(2)24(19(3)15-17)28(23(29)16-21-10-6-12-31-21)25(22-11-7-13-32-22)26(30)27-20-8-4-5-9-20/h6-7,10-15,20,25H,4-5,8-9,16H2,1-3H3,(H,27,30)/t25-/m1/s1.

What are the key properties of (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?

(2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 466.67 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclopentyl-2-thiophen-2-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 1435992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).