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

C22H29N3O5S — CID 16881045

IUPACN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O5S/c1-29-19-8-9-20(21(16-19)30-2)22(26)23-10-15-31(27,28)25-13-11-24(12-14-25)17-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyAWHMOFHVCOLBFP-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.58
Rot. Bonds9

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

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide (PubChem CID 16881045) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
PubChem CID16881045
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H29N3O5S/c1-29-19-8-9-20(21(16-19)30-2)22(26)23-10-15-31(27,28)25-13-11-24(12-14-25)17-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyAWHMOFHVCOLBFP-UHFFFAOYSA-N
XLogP1.58
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 17336206
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide
CID 7618507
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 16881077
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide (CID 16881045) is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide?
The InChIKey is AWHMOFHVCOLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-29-19-8-9-20(21(16-19)30-2)22(26)23-10-15-31(27,28)25-13-11-24(12-14-25)17-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide?
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide has a molecular weight of 447.56 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 16881045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).