4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C17H26ClN3O4S — CID 119463409

IUPAC4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-20(2)16(21)12-25(23,24)15-7-5-14(6-8-15)17(22)19-11-13-4-3-9-18-10-13;/h5-8,13,18H,3-4,9-12H2,1-2H3,(H,19,22);1H
InChIKeyNHJJGQJCYGKJOZ-UHFFFAOYSA-N
MW403.93 g/mol
LogP0.70
Rot. Bonds6

About 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119463409) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119463409
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-20(2)16(21)12-25(23,24)15-7-5-14(6-8-15)17(22)19-11-13-4-3-9-18-10-13;/h5-8,13,18H,3-4,9-12H2,1-2H3,(H,19,22);1H
InChIKeyNHJJGQJCYGKJOZ-UHFFFAOYSA-N
XLogP0.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536975
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557244
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564844

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119463409) is 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is NHJJGQJCYGKJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c1-20(2)16(21)12-25(23,24)15-7-5-14(6-8-15)17(22)19-11-13-4-3-9-18-10-13;/h5-8,13,18H,3-4,9-12H2,1-2H3,(H,19,22);1H.
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119463409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).