2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide

C20H20N4O4S2 — CID 135455145

IUPAC2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(NS(=O)(=O)c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C20H20N4O4S2/c1-2-14-8-10-15(11-9-14)21-19(26)13-29-20-22-17(12-18(25)23-20)24-30(27,28)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyWTZGKLFNRYNKOY-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.86
Rot. Bonds8

About 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide

2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide (PubChem CID 135455145) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
PubChem CID135455145
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nc(NS(=O)(=O)c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C20H20N4O4S2/c1-2-14-8-10-15(11-9-14)21-19(26)13-29-20-22-17(12-18(25)23-20)24-30(27,28)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyWTZGKLFNRYNKOY-UHFFFAOYSA-N
XLogP2.86
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)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 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide (CID 135455145) is 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2nc(NS(=O)(=O)c3ccccc3)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?
The InChIKey is WTZGKLFNRYNKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-2-14-8-10-15(11-9-14)21-19(26)13-29-20-22-17(12-18(25)23-20)24-30(27,28)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide?
2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide has a molecular weight of 444.54 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 135455145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).