2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

C24H28N4O3S — CID 46547891

IUPAC2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C24H28N4O3S/c1-18-10-11-22(32(30,31)28-14-4-3-7-19(28)2)16-23(18)24(29)26-21-9-5-8-20(15-21)17-27-13-6-12-25-27/h5-6,8-13,15-16,19H,3-4,7,14,17H2,1-2H3,(H,26,29)
InChIKeyBMYIXARKBOLOIL-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.06
Rot. Bonds6

About 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 46547891) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID46547891
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C24H28N4O3S/c1-18-10-11-22(32(30,31)28-14-4-3-7-19(28)2)16-23(18)24(29)26-21-9-5-8-20(15-21)17-27-13-6-12-25-27/h5-6,8-13,15-16,19H,3-4,7,14,17H2,1-2H3,(H,26,29)
InChIKeyBMYIXARKBOLOIL-UHFFFAOYSA-N
XLogP4.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863012
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 36542393
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55389570
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010325
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46424040
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119616294
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
CID 55609673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 46547891) is 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is BMYIXARKBOLOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-18-10-11-22(32(30,31)28-14-4-3-7-19(28)2)16-23(18)24(29)26-21-9-5-8-20(15-21)17-27-13-6-12-25-27/h5-6,8-13,15-16,19H,3-4,7,14,17H2,1-2H3,(H,26,29).
What are the key properties of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 46547891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).