5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide

C24H33N5O3S — CID 55964496

IUPAC5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3CCCCC3)nc2)c1
InChIInChI=1S/C24H33N5O3S/c1-27(2)33(31,32)20-9-10-22(28-12-6-7-13-28)21(16-20)24(30)26-18-19-8-11-23(25-17-19)29-14-4-3-5-15-29/h8-11,16-17H,3-7,12-15,18H2,1-2H3,(H,26,30)
InChIKeyZACFVPDYTQXKCE-UHFFFAOYSA-N
MW471.63 g/mol
LogP2.85
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 55964496) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID55964496
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Name5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3CCCCC3)nc2)c1
InChIInChI=1S/C24H33N5O3S/c1-27(2)33(31,32)20-9-10-22(28-12-6-7-13-28)21(16-20)24(30)26-18-19-8-11-23(25-17-19)29-14-4-3-5-15-29/h8-11,16-17H,3-7,12-15,18H2,1-2H3,(H,26,30)
InChIKeyZACFVPDYTQXKCE-UHFFFAOYSA-N
XLogP2.85
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55620970
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732152
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 47043377
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 16558784
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55971669
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-(1H-benzimidazol-2-ylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112791035
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide (CID 55964496) is 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(N3CCCCC3)nc2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ZACFVPDYTQXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-27(2)33(31,32)20-9-10-22(28-12-6-7-13-28)21(16-20)24(30)26-18-19-8-11-23(25-17-19)29-14-4-3-5-15-29/h8-11,16-17H,3-7,12-15,18H2,1-2H3,(H,26,30).
What are the key properties of 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 471.63 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55964496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).