N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide

C23H31N3O3S — CID 16560694

IUPACN-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1
InChIInChI=1S/C23H31N3O3S/c1-4-25(18-19-11-7-5-8-12-19)23(27)21-17-20(30(28,29)24(2)3)13-14-22(21)26-15-9-6-10-16-26/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3
InChIKeyDWMUGZJCAHXQOX-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.59
Rot. Bonds7

About N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide

N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide (PubChem CID 16560694) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
PubChem CID16560694
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1
InChIInChI=1S/C23H31N3O3S/c1-4-25(18-19-11-7-5-8-12-19)23(27)21-17-20(30(28,29)24(2)3)13-14-22(21)26-15-9-6-10-16-26/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3
InChIKeyDWMUGZJCAHXQOX-UHFFFAOYSA-N
XLogP3.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
N-benzyl-5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 29200489
5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 134014499
5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide
CID 55364063
N-[4-[benzyl(methyl)amino]phenyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 60536402
5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 37491987
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide
CID 112822454
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
(1,3-dioxoisoindol-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 43027316
(3-carbamoylphenyl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 55634329

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide?
The IUPAC name of N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide (CID 16560694) is N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide is CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1.
What is the InChIKey of N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide?
The InChIKey is DWMUGZJCAHXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-4-25(18-19-11-7-5-8-12-19)23(27)21-17-20(30(28,29)24(2)3)13-14-22(21)26-15-9-6-10-16-26/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3.
What are the key properties of N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide?
N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide has a molecular weight of 429.59 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 16560694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).