N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide

C21H25Cl2N3O4S — CID 16881077

IUPACN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25Cl2N3O4S/c22-18-6-7-20(19(23)14-18)30-16-21(27)24-8-13-31(28,29)26-11-9-25(10-12-26)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,24,27)
InChIKeyVVFLOWBADHARDR-UHFFFAOYSA-N
MW486.42 g/mol
LogP2.64
Rot. Bonds9

About N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 16881077) has the molecular formula C21H25Cl2N3O4S and a molecular weight of 486.42 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID16881077
Molecular FormulaC21H25Cl2N3O4S
Molecular Weight486.42 g/mol
Exact Mass485.09
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25Cl2N3O4S/c22-18-6-7-20(19(23)14-18)30-16-21(27)24-8-13-31(28,29)26-11-9-25(10-12-26)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,24,27)
InChIKeyVVFLOWBADHARDR-UHFFFAOYSA-N
XLogP2.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 55475153
2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8798727
2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
CID 52584664
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659055
3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid
CID 45418647
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide (CID 16881077) is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is VVFLOWBADHARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4S/c22-18-6-7-20(19(23)14-18)30-16-21(27)24-8-13-31(28,29)26-11-9-25(10-12-26)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,24,27).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 486.42 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 16881077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).