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

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Related Compounds

2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 2137859
N-{4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)(phenyl)sulfamoyl]phenyl}acetamide
CID 2965080
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 135424357
2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 135406349
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 135408881
2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 2137143
N-(4-((2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)sulfonyl)phenyl)acetamide
CID 2148671
2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2890941
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2946221
2-((1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-phenethylacetamide
CID 7192025

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).