N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

C25H27N3O2S — CID 3202604

IUPACN-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C25H27N3O2S/c1-18-8-10-21(11-9-18)28(23(29)17-22-7-4-16-31-22)24(19-12-14-26-15-13-19)25(30)27-20-5-2-3-6-20/h4,7-16,20,24H,2-3,5-6,17H2,1H3,(H,27,30)
InChIKeyWCBRJFPUVHSTLK-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.83
Rot. Bonds7

About N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (PubChem CID 3202604) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
PubChem CID3202604
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C25H27N3O2S/c1-18-8-10-21(11-9-18)28(23(29)17-22-7-4-16-31-22)24(19-12-14-26-15-13-19)25(30)27-20-5-2-3-6-20/h4,7-16,20,24H,2-3,5-6,17H2,1H3,(H,27,30)
InChIKeyWCBRJFPUVHSTLK-UHFFFAOYSA-N
XLogP4.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (CID 3202604) is N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is Cc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The InChIKey is WCBRJFPUVHSTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-18-8-10-21(11-9-18)28(23(29)17-22-7-4-16-31-22)24(19-12-14-26-15-13-19)25(30)27-20-5-2-3-6-20/h4,7-16,20,24H,2-3,5-6,17H2,1H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide has a molecular weight of 433.58 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3202604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).