2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide

C20H23N3O4S2 — CID 73450864

IUPAC2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide
SMILESCCc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3ccccc3)NC2=O)cc1
InChIInChI=1S/C20H23N3O4S2/c1-2-14-8-10-16(11-9-14)29(26,27)17-12-21-20(23-19(17)25)28-13-18(24)22-15-6-4-3-5-7-15/h3-11,17,20-21H,2,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMWVFGJMLLDJDRH-UHFFFAOYSA-N
MW433.56 g/mol
LogP1.77
Rot. Bonds7

About 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide

2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 73450864) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID73450864
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide
SMILESCCc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3ccccc3)NC2=O)cc1
InChIInChI=1S/C20H23N3O4S2/c1-2-14-8-10-16(11-9-14)29(26,27)17-12-21-20(23-19(17)25)28-13-18(24)22-15-6-4-3-5-7-15/h3-11,17,20-21H,2,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMWVFGJMLLDJDRH-UHFFFAOYSA-N
XLogP1.77
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74609855
N-(3-acetylphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74527143
N-benzyl-2-[[5-(4-ethoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74536715
N-(2,4-dimethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 73452725
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
ethyl 4-[[2-[(6-benzyl-5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetyl]amino]benzoate
CID 73329168
propan-2-yl 3-[[2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetyl]amino]benzoate
CID 78228858
2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465573
2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 78249510
1-(benzenesulfonyl)-N-(4-ethylphenyl)formamide
CID 4118590
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
2-[(6-benzyl-5-oxo-1,2,4-triazinan-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 78458113

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide (CID 73450864) is 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide is CCc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3ccccc3)NC2=O)cc1.
What is the InChIKey of 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is MWVFGJMLLDJDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-2-14-8-10-16(11-9-14)29(26,27)17-12-21-20(23-19(17)25)28-13-18(24)22-15-6-4-3-5-7-15/h3-11,17,20-21H,2,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide?
2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 433.56 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 73450864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).