2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide

C25H26ClN3O2S — CID 3191146

IUPAC2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccn1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O2S/c26-18-11-13-20(14-12-18)29(23(30)17-21-9-6-16-32-21)24(22-10-4-5-15-27-22)25(31)28-19-7-2-1-3-8-19/h4-6,9-16,19,24H,1-3,7-8,17H2,(H,28,31)
InChIKeyZWINCRCXWAJZDT-UHFFFAOYSA-N
MW468.02 g/mol
LogP5.56
Rot. Bonds7

About 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide

2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide (PubChem CID 3191146) has the molecular formula C25H26ClN3O2S and a molecular weight of 468.02 g/mol. Its IUPAC name is 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide
PubChem CID3191146
Molecular FormulaC25H26ClN3O2S
Molecular Weight468.02 g/mol
Exact Mass467.14
IUPAC Name2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccn1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O2S/c26-18-11-13-20(14-12-18)29(23(30)17-21-9-6-16-32-21)24(22-10-4-5-15-27-22)25(31)28-19-7-2-1-3-8-19/h4-6,9-16,19,24H,1-3,7-8,17H2,(H,28,31)
InChIKeyZWINCRCXWAJZDT-UHFFFAOYSA-N
XLogP5.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.02
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide (CID 3191146) is 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide is O=C(NC1CCCCC1)C(c1ccccn1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide?
The InChIKey is ZWINCRCXWAJZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2S/c26-18-11-13-20(14-12-18)29(23(30)17-21-9-6-16-32-21)24(22-10-4-5-15-27-22)25(31)28-19-7-2-1-3-8-19/h4-6,9-16,19,24H,1-3,7-8,17H2,(H,28,31).
What are the key properties of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide?
2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide has a molecular weight of 468.02 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-pyridin-2-ylacetamide is sourced from PubChem (CID 3191146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).