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

C21H24ClN3O4S2 — CID 74609855

IUPACN-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3cc(Cl)ccc3C)NC2=O)cc1
InChIInChI=1S/C21H24ClN3O4S2/c1-3-14-5-8-16(9-6-14)31(28,29)18-11-23-21(25-20(18)27)30-12-19(26)24-17-10-15(22)7-4-13(17)2/h4-10,18,21,23H,3,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPZLRISXNTLQZHM-UHFFFAOYSA-N
MW482.03 g/mol
LogP2.73
Rot. Bonds7

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

N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (PubChem CID 74609855) has the molecular formula C21H24ClN3O4S2 and a molecular weight of 482.03 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
PubChem CID74609855
Molecular FormulaC21H24ClN3O4S2
Molecular Weight482.03 g/mol
Exact Mass481.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3cc(Cl)ccc3C)NC2=O)cc1
InChIInChI=1S/C21H24ClN3O4S2/c1-3-14-5-8-16(9-6-14)31(28,29)18-11-23-21(25-20(18)27)30-12-19(26)24-17-10-15(22)7-4-13(17)2/h4-10,18,21,23H,3,11-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPZLRISXNTLQZHM-UHFFFAOYSA-N
XLogP2.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74532715
2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 73453126
N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74531837
2-[[5-(4-bromophenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 73340569
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 47115521
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (CID 74609855) is N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is CCc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3cc(Cl)ccc3C)NC2=O)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The InChIKey is PZLRISXNTLQZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S2/c1-3-14-5-8-16(9-6-14)31(28,29)18-11-23-21(25-20(18)27)30-12-19(26)24-17-10-15(22)7-4-13(17)2/h4-10,18,21,23H,3,11-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide has a molecular weight of 482.03 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[[5-(4-ethylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 74609855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).