3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

C21H28N4O3S — CID 55858222

IUPAC3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C21H28N4O3S/c1-16(2)24-29(27,28)20-8-5-6-17(14-20)21(26)23-18-9-12-25(13-10-18)15-19-7-3-4-11-22-19/h3-8,11,14,16,18,24H,9-10,12-13,15H2,1-2H3,(H,23,26)
InChIKeyRRMMFVYDEDSUNN-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.16
Rot. Bonds7

About 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide

3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 55858222) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID55858222
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C21H28N4O3S/c1-16(2)24-29(27,28)20-8-5-6-17(14-20)21(26)23-18-9-12-25(13-10-18)15-19-7-3-4-11-22-19/h3-8,11,14,16,18,24H,9-10,12-13,15H2,1-2H3,(H,23,26)
InChIKeyRRMMFVYDEDSUNN-UHFFFAOYSA-N
XLogP2.16
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858730
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
N-cyclopentyl-3-(2-pyridin-2-ylethylsulfamoyl)benzamide
CID 72859318
4-(2-methylpropanoylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858736
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
4-(diethylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859491
N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86962289
N-cyclobutyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 97206215
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
4-(difluoromethoxy)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 47058915

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide (CID 55858222) is 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is RRMMFVYDEDSUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-16(2)24-29(27,28)20-8-5-6-17(14-20)21(26)23-18-9-12-25(13-10-18)15-19-7-3-4-11-22-19/h3-8,11,14,16,18,24H,9-10,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide?
3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 416.55 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 55858222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).