N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride

C25H36ClN3O5S — CID 6602988

IUPACN-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C25H35N3O5S.ClH/c1-32-18-16-28(17-19-33-2)34(30,31)24-10-8-22(9-11-24)25(29)26-23-12-14-27(15-13-23)20-21-6-4-3-5-7-21;/h3-11,23H,12-20H2,1-2H3,(H,26,29);1H
InChIKeyWOLHMCJNRHOWLK-UHFFFAOYSA-N
MW526.10 g/mol
LogP2.79
Rot. Bonds12

About N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride

N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 6602988) has the molecular formula C25H36ClN3O5S and a molecular weight of 526.10 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride
PubChem CID6602988
Molecular FormulaC25H36ClN3O5S
Molecular Weight526.10 g/mol
Exact Mass525.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C25H35N3O5S.ClH/c1-32-18-16-28(17-19-33-2)34(30,31)24-10-8-22(9-11-24)25(29)26-23-12-14-27(15-13-23)20-21-6-4-3-5-7-21;/h3-11,23H,12-20H2,1-2H3,(H,26,29);1H
InChIKeyWOLHMCJNRHOWLK-UHFFFAOYSA-N
XLogP2.79
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.10
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827623
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 42878689
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859491
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride (CID 6602988) is N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is WOLHMCJNRHOWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S.ClH/c1-32-18-16-28(17-19-33-2)34(30,31)24-10-8-22(9-11-24)25(29)26-23-12-14-27(15-13-23)20-21-6-4-3-5-7-21;/h3-11,23H,12-20H2,1-2H3,(H,26,29);1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride?
N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 526.10 g/mol, XLogP of 2.79, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[bis(2-methoxyethyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 6602988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).