4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C18H30ClN3O3S — CID 119555746

IUPAC4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-18(2,3)21-25(23,24)16-8-6-15(7-9-16)17(22)20-12-10-14-5-4-11-19-13-14;/h6-9,14,19,21H,4-5,10-13H2,1-3H3,(H,20,22);1H
InChIKeyHBWUWLHIFHQGLR-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.30
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119555746) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119555746
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-18(2,3)21-25(23,24)16-8-6-15(7-9-16)17(22)20-12-10-14-5-4-11-19-13-14;/h6-9,14,19,21H,4-5,10-13H2,1-3H3,(H,20,22);1H
InChIKeyHBWUWLHIFHQGLR-UHFFFAOYSA-N
XLogP2.30
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
4-(2-amino-2-oxoethyl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556684
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119979610
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119555746) is 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is HBWUWLHIFHQGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-18(2,3)21-25(23,24)16-8-6-15(7-9-16)17(22)20-12-10-14-5-4-11-19-13-14;/h6-9,14,19,21H,4-5,10-13H2,1-3H3,(H,20,22);1H.
What are the key properties of 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119555746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).