2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C20H19ClN4O4S — CID 30936047

IUPAC2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2cnc(-c3ccc(Cl)cc3)cc2=O)cc1
InChIInChI=1S/C20H19ClN4O4S/c21-16-5-3-15(4-6-16)18-11-20(27)25(13-24-18)12-19(26)23-10-9-14-1-7-17(8-2-14)30(22,28)29/h1-8,11,13H,9-10,12H2,(H,23,26)(H2,22,28,29)
InChIKeyMZOADHWXEKWMHA-UHFFFAOYSA-N
MW446.92 g/mol
LogP1.57
Rot. Bonds7

About 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 30936047) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID30936047
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2cnc(-c3ccc(Cl)cc3)cc2=O)cc1
InChIInChI=1S/C20H19ClN4O4S/c21-16-5-3-15(4-6-16)18-11-20(27)25(13-24-18)12-19(26)23-10-9-14-1-7-17(8-2-14)30(22,28)29/h1-8,11,13H,9-10,12H2,(H,23,26)(H2,22,28,29)
InChIKeyMZOADHWXEKWMHA-UHFFFAOYSA-N
XLogP1.57
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 46920467
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16957045
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 121063971
3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110301247
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 16885019

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 30936047) is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cn2cnc(-c3ccc(Cl)cc3)cc2=O)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is MZOADHWXEKWMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c21-16-5-3-15(4-6-16)18-11-20(27)25(13-24-18)12-19(26)23-10-9-14-1-7-17(8-2-14)30(22,28)29/h1-8,11,13H,9-10,12H2,(H,23,26)(H2,22,28,29).
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 446.92 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 30936047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).