N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

C25H27N3O2S — CID 3202877

IUPACN-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NC1CCCC1)C(c1ccccc1)N(Cc1cccnc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H27N3O2S/c29-23(16-22-13-7-15-31-22)28(18-19-8-6-14-26-17-19)24(20-9-2-1-3-10-20)25(30)27-21-11-4-5-12-21/h1-3,6-10,13-15,17,21,24H,4-5,11-12,16,18H2,(H,27,30)
InChIKeyATLHUTYGYPMRIZ-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.51
Rot. Bonds8

About N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3202877) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3202877
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NC1CCCC1)C(c1ccccc1)N(Cc1cccnc1)C(=O)Cc1cccs1
InChIInChI=1S/C25H27N3O2S/c29-23(16-22-13-7-15-31-22)28(18-19-8-6-14-26-17-19)24(20-9-2-1-3-10-20)25(30)27-21-11-4-5-12-21/h1-3,6-10,13-15,17,21,24H,4-5,11-12,16,18H2,(H,27,30)
InChIKeyATLHUTYGYPMRIZ-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 N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3202877) is N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is O=C(NC1CCCC1)C(c1ccccc1)N(Cc1cccnc1)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is ATLHUTYGYPMRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c29-23(16-22-13-7-15-31-22)28(18-19-8-6-14-26-17-19)24(20-9-2-1-3-10-20)25(30)27-21-11-4-5-12-21/h1-3,6-10,13-15,17,21,24H,4-5,11-12,16,18H2,(H,27,30).
What are the key properties of N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide 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 N-cyclopentyl-2-phenyl-2-[pyridin-3-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3202877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).