ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate

C23H28ClN3O5S — CID 24560547

IUPACethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(C(=O)OCC)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H28ClN3O5S/c1-3-25-33(30,31)20-7-5-6-18(16-20)22(28)27-14-12-26(13-15-27)21(23(29)32-4-2)17-8-10-19(24)11-9-17/h5-11,16,21,25H,3-4,12-15H2,1-2H3
InChIKeyOHUBZFKHUFYMQF-UHFFFAOYSA-N
MW494.01 g/mol
LogP2.70
Rot. Bonds8

About ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate

ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate (PubChem CID 24560547) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate
PubChem CID24560547
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Nameethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(C(=O)OCC)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H28ClN3O5S/c1-3-25-33(30,31)20-7-5-6-18(16-20)22(28)27-14-12-26(13-15-27)21(23(29)32-4-2)17-8-10-19(24)11-9-17/h5-11,16,21,25H,3-4,12-15H2,1-2H3
InChIKeyOHUBZFKHUFYMQF-UHFFFAOYSA-N
XLogP2.70
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558
3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 29218312
ethyl 2-(4-chlorophenyl)-2-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 24560560
ethyl (2R)-2-(4-chlorophenyl)-2-[4-(4-ethoxy-3-methoxybenzoyl)piperazin-1-yl]acetate
CID 51644690
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 24560570
ethyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 42925972
1-[3-(ethylsulfamoyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064085
N-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17226728
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 26591578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate (CID 24560547) is ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate is CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(C(=O)OCC)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate?
The InChIKey is OHUBZFKHUFYMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-3-25-33(30,31)20-7-5-6-18(16-20)22(28)27-14-12-26(13-15-27)21(23(29)32-4-2)17-8-10-19(24)11-9-17/h5-11,16,21,25H,3-4,12-15H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate?
ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate has a molecular weight of 494.01 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-[4-[3-(ethylsulfamoyl)benzoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 24560547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).