N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide

C24H33N3O5S — CID 16881049

IUPACN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1OCC
InChIInChI=1S/C24H33N3O5S/c1-3-31-22-11-10-21(18-23(22)32-4-2)24(28)25-12-17-33(29,30)27-15-13-26(14-16-27)19-20-8-6-5-7-9-20/h5-11,18H,3-4,12-17,19H2,1-2H3,(H,25,28)
InChIKeySVLZXSFDDNEJJD-UHFFFAOYSA-N
MW475.61 g/mol
LogP2.36
Rot. Bonds11

About N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide (PubChem CID 16881049) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
PubChem CID16881049
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1OCC
InChIInChI=1S/C24H33N3O5S/c1-3-31-22-11-10-21(18-23(22)32-4-2)24(28)25-12-17-33(29,30)27-15-13-26(14-16-27)19-20-8-6-5-7-9-20/h5-11,18H,3-4,12-17,19H2,1-2H3,(H,25,28)
InChIKeySVLZXSFDDNEJJD-UHFFFAOYSA-N
XLogP2.36
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46410731
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
CID 16881045
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
CID 42590040
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 16881077
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-diethoxybenzamide
CID 42313246
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 43918902
N-(3-ethoxypropyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43923977
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 43924519
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide (CID 16881049) is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1OCC.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide?
The InChIKey is SVLZXSFDDNEJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-3-31-22-11-10-21(18-23(22)32-4-2)24(28)25-12-17-33(29,30)27-15-13-26(14-16-27)19-20-8-6-5-7-9-20/h5-11,18H,3-4,12-17,19H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide?
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide has a molecular weight of 475.61 g/mol, XLogP of 2.36, 11 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]-3,4-diethoxybenzamide is sourced from PubChem (CID 16881049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).