(2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide

C30H27F3N2O2S2 — CID 142837225

About (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide

(2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide (PubChem CID 142837225) has the molecular formula C30H27F3N2O2S2 and a molecular weight of 568.69 g/mol. Its IUPAC name is (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
• PubChem CID: 142837225
• Molecular Formula: C30H27F3N2O2S2
• Molecular Weight: 568.69 g/mol
• Exact Mass: 568.15
• IUPAC Name: (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
• SMILES: O=C(NCc1ccc(-c2cccs2)s1)C1CCC[C@H]1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1
• InChI: InChI=1S/C30H27F3N2O2S2/c31-30(32,33)25-8-2-1-5-22(25)20-12-10-19(11-13-20)17-34-28(36)23-6-3-7-24(23)29(37)35-18-21-14-15-27(39-21)26-9-4-16-38-26/h1-2,4-5,8-16,23-24H,3,6-7,17-18H2,(H,34,36)(H,35,37)/t23-,24?/m1/s1
• InChIKey: UJYKOKVETJVBEJ-MIHMCVIASA-N
• XLogP: 7.51
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.69
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?

The IUPAC name of (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide (CID 142837225) is (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide.

What is the SMILES notation for (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?

The canonical SMILES for (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide is O=C(NCc1ccc(-c2cccs2)s1)C1CCC[C@H]1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1.

What is the InChIKey of (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?

The InChIKey is UJYKOKVETJVBEJ-MIHMCVIASA-N. The full InChI is InChI=1S/C30H27F3N2O2S2/c31-30(32,33)25-8-2-1-5-22(25)20-12-10-19(11-13-20)17-34-28(36)23-6-3-7-24(23)29(37)35-18-21-14-15-27(39-21)26-9-4-16-38-26/h1-2,4-5,8-16,23-24H,3,6-7,17-18H2,(H,34,36)(H,35,37)/t23-,24?/m1/s1.

What are the key properties of (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?

(2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide has a molecular weight of 568.69 g/mol, XLogP of 7.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-2-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 142837225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).