N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C21H29N5O4S — CID 51132666

IUPACN-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc(C)c1C
InChIInChI=1S/C21H29N5O4S/c1-14-9-17(10-19(15(14)2)31(29,30)22-3)21(28)26-7-5-16(6-8-26)11-23-20(27)18-12-24-25(4)13-18/h9-10,12-13,16,22H,5-8,11H2,1-4H3,(H,23,27)
InChIKeyDOCWJTKZQDXEBV-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.23
Rot. Bonds6

About N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 51132666) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID51132666
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC NameN-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc(C)c1C
InChIInChI=1S/C21H29N5O4S/c1-14-9-17(10-19(15(14)2)31(29,30)22-3)21(28)26-7-5-16(6-8-26)11-23-20(27)18-12-24-25(4)13-18/h9-10,12-13,16,22H,5-8,11H2,1-4H3,(H,23,27)
InChIKeyDOCWJTKZQDXEBV-UHFFFAOYSA-N
XLogP1.23
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-{[1-(2-fluorobenzoyl)piperidin-4-yl]methyl}-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806888
3-[(piperidin-4-ylamino)sulfonyl]-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 72877192
N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylcarbonyl)benzenesulfonamide
CID 77088876
3-[(4-methyl-3,6-dihydropyridin-1(2H)-yl)sulfonyl]-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 72879691
2-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-(pyrazol-1-ylmethyl)benzamide
CID 23016723
N-benzyl-2-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-5-(pyrazol-1-ylmethyl)benzamide
CID 23017640
N-[1-(fluoromethyl)cyclopropyl]-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dioxo-4H-isoquinoline-7-sulfonamide
CID 146741282
6-fluoro-N-(1-methylcyclopropyl)-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dioxo-4H-isoquinoline-7-sulfonamide
CID 159311191
4-fluoro-3-piperidin-1-ylsulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 27053049
5-(diethylsulfamoyl)-2-fluoro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 27053212
4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 31843302
4-fluoro-3-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35955466

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 51132666) is N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is CNS(=O)(=O)c1cc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc(C)c1C.
What is the InChIKey of N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is DOCWJTKZQDXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-14-9-17(10-19(15(14)2)31(29,30)22-3)21(28)26-7-5-16(6-8-26)11-23-20(27)18-12-24-25(4)13-18/h9-10,12-13,16,22H,5-8,11H2,1-4H3,(H,23,27).
What are the key properties of N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 51132666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).