N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide

C20H20FN3O3S — CID 90516529

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide
SMILESO=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C20H20FN3O3S/c21-18-8-6-17(7-9-18)19-14-20(25)24(15-22-19)12-11-23-28(26,27)13-10-16-4-2-1-3-5-16/h1-9,14-15,23H,10-13H2
InChIKeyJBQLRVQZSSFNGG-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.21
Rot. Bonds8

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide (PubChem CID 90516529) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide
PubChem CID90516529
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide
SMILESO=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C20H20FN3O3S/c21-18-8-6-17(7-9-18)19-14-20(25)24(15-22-19)12-11-23-28(26,27)13-10-16-4-2-1-3-5-16/h1-9,14-15,23H,10-13H2
InChIKeyJBQLRVQZSSFNGG-UHFFFAOYSA-N
XLogP2.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide 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-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide (CID 90516529) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide is O=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide?
The InChIKey is JBQLRVQZSSFNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c21-18-8-6-17(7-9-18)19-14-20(25)24(15-22-19)12-11-23-28(26,27)13-10-16-4-2-1-3-5-16/h1-9,14-15,23H,10-13H2.
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide has a molecular weight of 401.46 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 90516529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).