4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C19H32ClN3O3S — CID 119823590

IUPAC4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C1CCNCC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-5-14-22(16-10-12-20-13-11-16)18(23)15-6-8-17(9-7-15)26(24,25)21-19(2,3)4;/h6-9,16,20-21H,5,10-14H2,1-4H3;1H
InChIKeyKHFHIXYTHWKYHE-UHFFFAOYSA-N
MW418.00 g/mol
LogP2.79
Rot. Bonds6

About 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119823590) has the molecular formula C19H32ClN3O3S and a molecular weight of 418.00 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119823590
Molecular FormulaC19H32ClN3O3S
Molecular Weight418.00 g/mol
Exact Mass417.19
IUPAC Name4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C1CCNCC1.Cl
InChIInChI=1S/C19H31N3O3S.ClH/c1-5-14-22(16-10-12-20-13-11-16)18(23)15-6-8-17(9-7-15)26(24,25)21-19(2,3)4;/h6-9,16,20-21H,5,10-14H2,1-4H3;1H
InChIKeyKHFHIXYTHWKYHE-UHFFFAOYSA-N
XLogP2.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.00
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825087
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
3-(cyclopropylsulfamoyl)-4-methoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824864
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825801
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
4-(4-methylpiperidin-1-yl)sulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529858

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119823590) is 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is KHFHIXYTHWKYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S.ClH/c1-5-14-22(16-10-12-20-13-11-16)18(23)15-6-8-17(9-7-15)26(24,25)21-19(2,3)4;/h6-9,16,20-21H,5,10-14H2,1-4H3;1H.
What are the key properties of 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 418.00 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119823590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).