3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride

C24H34ClN3O6S — CID 18571748

IUPAC3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1OCC.Cl
InChIInChI=1S/C24H33N3O6S.ClH/c1-4-32-22-11-6-19(18-23(22)33-5-2)24(28)25-12-13-26-14-16-27(17-15-26)34(29,30)21-9-7-20(31-3)8-10-21;/h6-11,18H,4-5,12-17H2,1-3H3,(H,25,28);1H
InChIKeyKCUWYFQJBVNJMN-UHFFFAOYSA-N
MW528.07 g/mol
LogP2.65
Rot. Bonds11

About 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride

3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 18571748) has the molecular formula C24H34ClN3O6S and a molecular weight of 528.07 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
PubChem CID18571748
Molecular FormulaC24H34ClN3O6S
Molecular Weight528.07 g/mol
Exact Mass527.19
IUPAC Name3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1OCC.Cl
InChIInChI=1S/C24H33N3O6S.ClH/c1-4-32-22-11-6-19(18-23(22)33-5-2)24(28)25-12-13-26-14-16-27(17-15-26)34(29,30)21-9-7-20(31-3)8-10-21;/h6-11,18H,4-5,12-17H2,1-3H3,(H,25,28);1H
InChIKeyKCUWYFQJBVNJMN-UHFFFAOYSA-N
XLogP2.65
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.07
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 18571746
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 18571768
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 18571712
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 20933689
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 29195731
N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207412

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride (CID 18571748) is 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride is CCOc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1OCC.Cl.
What is the InChIKey of 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The InChIKey is KCUWYFQJBVNJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S.ClH/c1-4-32-22-11-6-19(18-23(22)33-5-2)24(28)25-12-13-26-14-16-27(17-15-26)34(29,30)21-9-7-20(31-3)8-10-21;/h6-11,18H,4-5,12-17H2,1-3H3,(H,25,28);1H.
What are the key properties of 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 528.07 g/mol, XLogP of 2.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 18571748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).