4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C18H30ClN3O3S — CID 119825087

IUPAC4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(CNS(=O)(=O)CC)cc1)C1CCNCC1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-3-13-21(17-9-11-19-12-10-17)18(22)16-7-5-15(6-8-16)14-20-25(23,24)4-2;/h5-8,17,19-20H,3-4,9-14H2,1-2H3;1H
InChIKeyJZDCFMFLELNEIX-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.15
Rot. Bonds8

About 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119825087) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119825087
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC Name4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(CNS(=O)(=O)CC)cc1)C1CCNCC1.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-3-13-21(17-9-11-19-12-10-17)18(22)16-7-5-15(6-8-16)14-20-25(23,24)4-2;/h5-8,17,19-20H,3-4,9-14H2,1-2H3;1H
InChIKeyJZDCFMFLELNEIX-UHFFFAOYSA-N
XLogP2.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.15
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-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823590
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824388
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 119824648
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323

Frequently Asked Questions

What is the IUPAC name of 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119825087) is 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(CNS(=O)(=O)CC)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is JZDCFMFLELNEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-3-13-21(17-9-11-19-12-10-17)18(22)16-7-5-15(6-8-16)14-20-25(23,24)4-2;/h5-8,17,19-20H,3-4,9-14H2,1-2H3;1H.
What are the key properties of 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119825087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).