(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide

C25H27ClN2O2S2 — CID 1441603

About (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide

(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 1441603) has the molecular formula C25H27ClN2O2S2 and a molecular weight of 487.09 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
• PubChem CID: 1441603
• Molecular Formula: C25H27ClN2O2S2
• Molecular Weight: 487.09 g/mol
• Exact Mass: 486.12
• IUPAC Name: (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
• SMILES: O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)Cc1cccs1
• InChI: InChI=1S/C25H27ClN2O2S2/c26-19-12-10-18(11-13-19)24(25(30)27-20-6-2-1-3-7-20)28(17-22-9-5-15-32-22)23(29)16-21-8-4-14-31-21/h4-5,8-15,20,24H,1-3,6-7,16-17H2,(H,27,30)/t24-/m1/s1
• InChIKey: MGVQETUBGYENFB-XMMPIXPASA-N
• XLogP: 6.22
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.09
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?

The IUPAC name of (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide (CID 1441603) is (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide.

What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?

The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide is O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)Cc1cccs1.

What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?

The InChIKey is MGVQETUBGYENFB-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27ClN2O2S2/c26-19-12-10-18(11-13-19)24(25(30)27-20-6-2-1-3-7-20)28(17-22-9-5-15-32-22)23(29)16-21-8-4-14-31-21/h4-5,8-15,20,24H,1-3,6-7,16-17H2,(H,27,30)/t24-/m1/s1.

What are the key properties of (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?

(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 487.09 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 1441603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).