4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

C19H24N4O3S — CID 38528100

IUPAC4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C19H24N4O3S/c1-22(2)27(25,26)17-8-6-16(7-9-17)19(24)21-14-15-5-10-18(20-13-15)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,24)
InChIKeyOZCVLLXDWZABQG-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.86
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 38528100) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID38528100
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C19H24N4O3S/c1-22(2)27(25,26)17-8-6-16(7-9-17)19(24)21-14-15-5-10-18(20-13-15)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,24)
InChIKeyOZCVLLXDWZABQG-UHFFFAOYSA-N
XLogP1.86
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964496
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37480846
ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 37481999
4-[methoxy(methyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55534313
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 47043377
4-methyl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482686
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55620970

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (CID 38528100) is 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is OZCVLLXDWZABQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-22(2)27(25,26)17-8-6-16(7-9-17)19(24)21-14-15-5-10-18(20-13-15)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 38528100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).