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

C21H28ClN3O5S — CID 18571730

IUPAC2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3OC)CC2)cc1.Cl
InChIInChI=1S/C21H27N3O5S.ClH/c1-28-17-7-9-18(10-8-17)30(26,27)24-15-13-23(14-16-24)12-11-22-21(25)19-5-3-4-6-20(19)29-2;/h3-10H,11-16H2,1-2H3,(H,22,25);1H
InChIKeyBOFHKQCXWCDKLZ-UHFFFAOYSA-N
MW469.99 g/mol
LogP1.86
Rot. Bonds8

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

2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 18571730) has the molecular formula C21H28ClN3O5S and a molecular weight of 469.99 g/mol. Its IUPAC name is 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
PubChem CID18571730
Molecular FormulaC21H28ClN3O5S
Molecular Weight469.99 g/mol
Exact Mass469.14
IUPAC Name2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3OC)CC2)cc1.Cl
InChIInChI=1S/C21H27N3O5S.ClH/c1-28-17-7-9-18(10-8-17)30(26,27)24-15-13-23(14-16-24)12-11-22-21(25)19-5-3-4-6-20(19)29-2;/h3-10H,11-16H2,1-2H3,(H,22,25);1H
InChIKeyBOFHKQCXWCDKLZ-UHFFFAOYSA-N
XLogP1.86
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 18571712
3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571748
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 18571768
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride (CID 18571730) is 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride is COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3OC)CC2)cc1.Cl.
What is the InChIKey of 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
The InChIKey is BOFHKQCXWCDKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S.ClH/c1-28-17-7-9-18(10-8-17)30(26,27)24-15-13-23(14-16-24)12-11-22-21(25)19-5-3-4-6-20(19)29-2;/h3-10H,11-16H2,1-2H3,(H,22,25);1H.
What are the key properties of 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride?
2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 469.99 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 18571730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).