2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C24H27N5O3S — CID 55722019

IUPAC2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCN(c4ncccn4)CC3)c2)c1
InChIInChI=1S/C24H27N5O3S/c1-17-5-3-6-20(15-17)28-33(31,32)21-8-7-18(2)22(16-21)23(30)27-19-9-13-29(14-10-19)24-25-11-4-12-26-24/h3-8,11-12,15-16,19,28H,9-10,13-14H2,1-2H3,(H,27,30)
InChIKeyXAWVFZWXPQVJQX-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.29
Rot. Bonds6

About 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 55722019) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID55722019
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCN(c4ncccn4)CC3)c2)c1
InChIInChI=1S/C24H27N5O3S/c1-17-5-3-6-20(15-17)28-33(31,32)21-8-7-18(2)22(16-21)23(30)27-19-9-13-29(14-10-19)24-25-11-4-12-26-24/h3-8,11-12,15-16,19,28H,9-10,13-14H2,1-2H3,(H,27,30)
InChIKeyXAWVFZWXPQVJQX-UHFFFAOYSA-N
XLogP3.29
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 30768460
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 134031360
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006
3-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 55583889
2-chloro-N-[3-(dimethylamino)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 75376807
5-(diethylsulfamoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzamide
CID 55961559
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 55722019) is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCN(c4ncccn4)CC3)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is XAWVFZWXPQVJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-17-5-3-6-20(15-17)28-33(31,32)21-8-7-18(2)22(16-21)23(30)27-19-9-13-29(14-10-19)24-25-11-4-12-26-24/h3-8,11-12,15-16,19,28H,9-10,13-14H2,1-2H3,(H,27,30).
What are the key properties of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 465.58 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55722019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).