2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide

C24H26N2O2S2 — CID 3202484

IUPAC2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C24H26N2O2S2/c27-22(15-21-11-6-13-30-21)26(16-18-7-2-1-3-8-18)23(19-12-14-29-17-19)24(28)25-20-9-4-5-10-20/h1-3,6-8,11-14,17,20,23H,4-5,9-10,15-16H2,(H,25,28)
InChIKeyVMOPKNNGLSCSEB-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.18
Rot. Bonds8

About 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide

2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide (PubChem CID 3202484) has the molecular formula C24H26N2O2S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
PubChem CID3202484
Molecular FormulaC24H26N2O2S2
Molecular Weight438.62 g/mol
Exact Mass438.14
IUPAC Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C24H26N2O2S2/c27-22(15-21-11-6-13-30-21)26(16-18-7-2-1-3-8-18)23(19-12-14-29-17-19)24(28)25-20-9-4-5-10-20/h1-3,6-8,11-14,17,20,23H,4-5,9-10,15-16H2,(H,25,28)
InChIKeyVMOPKNNGLSCSEB-UHFFFAOYSA-N
XLogP5.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide?
The IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide (CID 3202484) is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide?
The canonical SMILES for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide is O=C(NC1CCCC1)C(c1ccsc1)N(Cc1ccccc1)C(=O)Cc1cccs1.
What is the InChIKey of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide?
The InChIKey is VMOPKNNGLSCSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S2/c27-22(15-21-11-6-13-30-21)26(16-18-7-2-1-3-8-18)23(19-12-14-29-17-19)24(28)25-20-9-4-5-10-20/h1-3,6-8,11-14,17,20,23H,4-5,9-10,15-16H2,(H,25,28).
What are the key properties of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide?
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide has a molecular weight of 438.62 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 3202484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).