4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C16H24ClN3O4S — CID 119556684

IUPAC4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1
InChIInChI=1S/C16H23N3O4S.ClH/c17-15(20)11-24(22,23)14-5-3-13(4-6-14)16(21)19-9-7-12-2-1-8-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H2,17,20)(H,19,21);1H
InChIKeyXBXDJLCIAAXHDL-UHFFFAOYSA-N
MW389.91 g/mol
LogP0.49
Rot. Bonds7

About 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119556684) has the molecular formula C16H24ClN3O4S and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119556684
Molecular FormulaC16H24ClN3O4S
Molecular Weight389.91 g/mol
Exact Mass389.12
IUPAC Name4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1
InChIInChI=1S/C16H23N3O4S.ClH/c17-15(20)11-24(22,23)14-5-3-13(4-6-14)16(21)19-9-7-12-2-1-8-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H2,17,20)(H,19,21);1H
InChIKeyXBXDJLCIAAXHDL-UHFFFAOYSA-N
XLogP0.49
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536975
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463409
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
4-(2-methoxyethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535038
3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559372
4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119556684) is 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is XBXDJLCIAAXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S.ClH/c17-15(20)11-24(22,23)14-5-3-13(4-6-14)16(21)19-9-7-12-2-1-8-18-10-12;/h3-6,12,18H,1-2,7-11H2,(H2,17,20)(H,19,21);1H.
What are the key properties of 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119556684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).