N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride

C17H28ClN3O3S — CID 119263634

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCNC2)ccc1C.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-4-20(5-2)24(22,23)16-11-15(9-8-13(16)3)19-17(21)14-7-6-10-18-12-14;/h8-9,11,14,18H,4-7,10,12H2,1-3H3,(H,19,21);1H
InChIKeyAAKFLLAVNFEGDX-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.39
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride

N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119263634) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119263634
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCNC2)ccc1C.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-4-20(5-2)24(22,23)16-11-15(9-8-13(16)3)19-17(21)14-7-6-10-18-12-14;/h8-9,11,14,18H,4-7,10,12H2,1-3H3,(H,19,21);1H
InChIKeyAAKFLLAVNFEGDX-UHFFFAOYSA-N
XLogP2.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119675216
N-[3-(diethylsulfamoyl)-4-methylphenyl]morpholine-2-carboxamide
CID 119674988
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46586044
N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 3667035
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride (CID 119263634) is N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCNC2)ccc1C.Cl.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is AAKFLLAVNFEGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-4-20(5-2)24(22,23)16-11-15(9-8-13(16)3)19-17(21)14-7-6-10-18-12-14;/h8-9,11,14,18H,4-7,10,12H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119263634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).