2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide

C25H27N3O2S — CID 3202582

IUPAC2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H27N3O2S/c29-23(17-22-11-6-16-31-22)28(18-19-7-2-1-3-8-19)24(20-12-14-26-15-13-20)25(30)27-21-9-4-5-10-21/h1-3,6-8,11-16,21,24H,4-5,9-10,17-18H2,(H,27,30)
InChIKeyRJEBTOHXWNTDIL-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.51
Rot. Bonds8

About 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide

2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide (PubChem CID 3202582) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide
PubChem CID3202582
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H27N3O2S/c29-23(17-22-11-6-16-31-22)28(18-19-7-2-1-3-8-19)24(20-12-14-26-15-13-20)25(30)27-21-9-4-5-10-21/h1-3,6-8,11-16,21,24H,4-5,9-10,17-18H2,(H,27,30)
InChIKeyRJEBTOHXWNTDIL-UHFFFAOYSA-N
XLogP4.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.51
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-pyridin-4-ylacetamide?
The IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide (CID 3202582) is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide is O=C(NC1CCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)Cc1cccs1.
What is the InChIKey of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide?
The InChIKey is RJEBTOHXWNTDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c29-23(17-22-11-6-16-31-22)28(18-19-7-2-1-3-8-19)24(20-12-14-26-15-13-20)25(30)27-21-9-4-5-10-21/h1-3,6-8,11-16,21,24H,4-5,9-10,17-18H2,(H,27,30).
What are the key properties of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide?
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-pyridin-4-ylacetamide has a molecular weight of 433.58 g/mol, XLogP of 4.51, 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-pyridin-4-ylacetamide is sourced from PubChem (CID 3202582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).