N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride

C20H26ClN3O3S — CID 120765473

IUPACN-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-3-16-4-6-17(7-5-16)20-14-21-12-13-23(20)27(25,26)19-10-8-18(9-11-19)22-15(2)24;/h4-11,20-21H,3,12-14H2,1-2H3,(H,22,24);1H
InChIKeyOEICMXMNMSIFPU-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.96
Rot. Bonds5

About N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride

N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride (PubChem CID 120765473) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
PubChem CID120765473
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-3-16-4-6-17(7-5-16)20-14-21-12-13-23(20)27(25,26)19-10-8-18(9-11-19)22-15(2)24;/h4-11,20-21H,3,12-14H2,1-2H3,(H,22,24);1H
InChIKeyOEICMXMNMSIFPU-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120764702
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 120765584
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylpyridine-2-carboxylate;hydrochloride
CID 120765525
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
CID 120765362
1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765370
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-2-methylfuran-3-carboxylate;hydrochloride
CID 120765513
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 120765458
N-[4-(2-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 119969812

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride (CID 120765473) is N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride is CCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.Cl.
What is the InChIKey of N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The InChIKey is OEICMXMNMSIFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-3-16-4-6-17(7-5-16)20-14-21-12-13-23(20)27(25,26)19-10-8-18(9-11-19)22-15(2)24;/h4-11,20-21H,3,12-14H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 120765473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).