N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide

C26H27N3O4S — CID 78321906

IUPACN-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ncc(-c3ccccc3)c(C(=O)C3CCCC3)n2)cc1
InChIInChI=1S/C26H27N3O4S/c1-2-34(32,33)21-14-12-18(13-15-21)16-23(30)28-26-27-17-22(19-8-4-3-5-9-19)24(29-26)25(31)20-10-6-7-11-20/h3-5,8-9,12-15,17,20H,2,6-7,10-11,16H2,1H3,(H,27,28,29,30)
InChIKeyGNKSONWKFQDWSI-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.49
Rot. Bonds8

About N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 78321906) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID78321906
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ncc(-c3ccccc3)c(C(=O)C3CCCC3)n2)cc1
InChIInChI=1S/C26H27N3O4S/c1-2-34(32,33)21-14-12-18(13-15-21)16-23(30)28-26-27-17-22(19-8-4-3-5-9-19)24(29-26)25(31)20-10-6-7-11-20/h3-5,8-9,12-15,17,20H,2,6-7,10-11,16H2,1H3,(H,27,28,29,30)
InChIKeyGNKSONWKFQDWSI-UHFFFAOYSA-N
XLogP4.49
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (CID 78321906) is N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ncc(-c3ccccc3)c(C(=O)C3CCCC3)n2)cc1.
What is the InChIKey of N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is GNKSONWKFQDWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-2-34(32,33)21-14-12-18(13-15-21)16-23(30)28-26-27-17-22(19-8-4-3-5-9-19)24(29-26)25(31)20-10-6-7-11-20/h3-5,8-9,12-15,17,20H,2,6-7,10-11,16H2,1H3,(H,27,28,29,30).
What are the key properties of N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 477.59 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentanecarbonyl)-5-phenylpyrimidin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 78321906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).