2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

C24H28N6O4S — CID 43064691

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(NC(=O)C(C)n2cncn2)cc1
InChIInChI=1S/C24H28N6O4S/c1-17-6-11-21(35(33,34)29-12-4-3-5-13-29)14-22(17)24(32)28-20-9-7-19(8-10-20)27-23(31)18(2)30-16-25-15-26-30/h6-11,14-16,18H,3-5,12-13H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyHJCIEYZKFNNCDN-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.21
Rot. Bonds7

About 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (PubChem CID 43064691) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
PubChem CID43064691
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(NC(=O)C(C)n2cncn2)cc1
InChIInChI=1S/C24H28N6O4S/c1-17-6-11-21(35(33,34)29-12-4-3-5-13-29)14-22(17)24(32)28-20-9-7-19(8-10-20)27-23(31)18(2)30-16-25-15-26-30/h6-11,14-16,18H,3-5,12-13H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyHJCIEYZKFNNCDN-UHFFFAOYSA-N
XLogP3.21
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide with MolForge

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Related Compounds

N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55679793
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573802
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (CID 43064691) is 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(NC(=O)C(C)n2cncn2)cc1.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The InChIKey is HJCIEYZKFNNCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-17-6-11-21(35(33,34)29-12-4-3-5-13-29)14-22(17)24(32)28-20-9-7-19(8-10-20)27-23(31)18(2)30-16-25-15-26-30/h6-11,14-16,18H,3-5,12-13H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide has a molecular weight of 496.59 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 43064691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).