2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

C25H33N3O4S — CID 16605869

IUPAC2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)ccc1C
InChIInChI=1S/C25H33N3O4S/c1-4-28(5-2)33(31,32)23-17-22(12-11-19(23)3)26-24(29)18-27-15-13-21(14-16-27)25(30)20-9-7-6-8-10-20/h6-12,17,21H,4-5,13-16,18H2,1-3H3,(H,26,29)
InChIKeyYEWPUMYFOHYOPF-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.56
Rot. Bonds9

About 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 16605869) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID16605869
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)ccc1C
InChIInChI=1S/C25H33N3O4S/c1-4-28(5-2)33(31,32)23-17-22(12-11-19(23)3)26-24(29)18-27-15-13-21(14-16-27)25(30)20-9-7-6-8-10-20/h6-12,17,21H,4-5,13-16,18H2,1-3H3,(H,26,29)
InChIKeyYEWPUMYFOHYOPF-UHFFFAOYSA-N
XLogP3.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742308
2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
CID 119907721
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46817764
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 52689774
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (CID 16605869) is 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)ccc1C.
What is the InChIKey of 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is YEWPUMYFOHYOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-4-28(5-2)33(31,32)23-17-22(12-11-19(23)3)26-24(29)18-27-15-13-21(14-16-27)25(30)20-9-7-6-8-10-20/h6-12,17,21H,4-5,13-16,18H2,1-3H3,(H,26,29).
What are the key properties of 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 471.62 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 16605869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).