N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide

C21H24Cl2N4O5S — CID 46374953

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H24Cl2N4O5S/c1-14(28)24-16-4-6-19(32-2)18(12-16)25-21(29)13-26-7-9-27(10-8-26)33(30,31)20-11-15(22)3-5-17(20)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyGSEMTWJSLVAZES-UHFFFAOYSA-N
MW515.42 g/mol
LogP2.91
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 46374953) has the molecular formula C21H24Cl2N4O5S and a molecular weight of 515.42 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID46374953
Molecular FormulaC21H24Cl2N4O5S
Molecular Weight515.42 g/mol
Exact Mass514.08
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H24Cl2N4O5S/c1-14(28)24-16-4-6-19(32-2)18(12-16)25-21(29)13-26-7-9-27(10-8-26)33(30,31)20-11-15(22)3-5-17(20)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyGSEMTWJSLVAZES-UHFFFAOYSA-N
XLogP2.91
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
N-(5-acetamido-2-methoxyphenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetamide
CID 16599233
N-(5-acetamido-2-methoxyphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 16597958
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2698128
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 5093122
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 24566664
N-(5-acetamido-2-methoxyphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 37385958
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2685785

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 46374953) is N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is GSEMTWJSLVAZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O5S/c1-14(28)24-16-4-6-19(32-2)18(12-16)25-21(29)13-26-7-9-27(10-8-26)33(30,31)20-11-15(22)3-5-17(20)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 515.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 46374953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).