5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide

C27H38N4O3S — CID 112822454

IUPAC5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C27H38N4O3S/c1-29(2)35(33,34)24-11-12-26(31-16-7-4-8-17-31)25(21-24)27(32)28-23-14-19-30(20-15-23)18-13-22-9-5-3-6-10-22/h3,5-6,9-12,21,23H,4,7-8,13-20H2,1-2H3,(H,28,32)
InChIKeyKRAWFZTYFCCDKG-UHFFFAOYSA-N
MW498.69 g/mol
LogP3.36
Rot. Bonds8

About 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide (PubChem CID 112822454) has the molecular formula C27H38N4O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide
PubChem CID112822454
Molecular FormulaC27H38N4O3S
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC Name5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C27H38N4O3S/c1-29(2)35(33,34)24-11-12-26(31-16-7-4-8-17-31)25(21-24)27(32)28-23-14-19-30(20-15-23)18-13-22-9-5-3-6-10-22/h3,5-6,9-12,21,23H,4,7-8,13-20H2,1-2H3,(H,28,32)
InChIKeyKRAWFZTYFCCDKG-UHFFFAOYSA-N
XLogP3.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25328833
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide
CID 119427536
5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide
CID 119429055
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 39952249
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
N-benzyl-5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 29200489
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 55673941
5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 31737983
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 27799895
5-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzamide
CID 55961559
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 16558784
N-[4-[benzyl(methyl)amino]phenyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 60536402

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide (CID 112822454) is 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide?
The InChIKey is KRAWFZTYFCCDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3S/c1-29(2)35(33,34)24-11-12-26(31-16-7-4-8-17-31)25(21-24)27(32)28-23-14-19-30(20-15-23)18-13-22-9-5-3-6-10-22/h3,5-6,9-12,21,23H,4,7-8,13-20H2,1-2H3,(H,28,32).
What are the key properties of 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide has a molecular weight of 498.69 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 112822454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).