5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide

C24H33N3O4S — CID 2540405

IUPAC5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
SMILESCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1
InChIInChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)19-14-15-22(26-16-10-7-11-17-26)20(18-19)24(28)25-21-12-8-9-13-23(21)31-6-3/h8-9,12-15,18H,4-7,10-11,16-17H2,1-3H3,(H,25,28)
InChIKeyBLQHDVDZAHXSPB-UHFFFAOYSA-N
MW459.61 g/mol
LogP4.36
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide

5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide (PubChem CID 2540405) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
PubChem CID2540405
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
SMILESCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1
InChIInChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)19-14-15-22(26-16-10-7-11-17-26)20(18-19)24(28)25-21-12-8-9-13-23(21)31-6-3/h8-9,12-15,18H,4-7,10-11,16-17H2,1-3H3,(H,25,28)
InChIKeyBLQHDVDZAHXSPB-UHFFFAOYSA-N
XLogP4.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methoxyethoxy)benzamide
CID 55997175
5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55679317
5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964117
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3585656
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551
N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 30274722

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide (CID 2540405) is 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide is CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide?
The InChIKey is BLQHDVDZAHXSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)19-14-15-22(26-16-10-7-11-17-26)20(18-19)24(28)25-21-12-8-9-13-23(21)31-6-3/h8-9,12-15,18H,4-7,10-11,16-17H2,1-3H3,(H,25,28).
What are the key properties of 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide?
5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide has a molecular weight of 459.61 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 2540405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).