N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide

C23H28N6O4S — CID 170394265

IUPACN-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
SMILESCNC(=O)c1cccc(Oc2cc(C3(C)CCCCC3)nc(NS(=O)(=O)c3cnn(C)c3)n2)c1
InChIInChI=1S/C23H28N6O4S/c1-23(10-5-4-6-11-23)19-13-20(33-17-9-7-8-16(12-17)21(30)24-2)27-22(26-19)28-34(31,32)18-14-25-29(3)15-18/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,30)(H,26,27,28)
InChIKeyVNTQDLMZJXVEJN-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.38
Rot. Bonds7

About N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide

N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide (PubChem CID 170394265) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
PubChem CID170394265
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC NameN-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
SMILESCNC(=O)c1cccc(Oc2cc(C3(C)CCCCC3)nc(NS(=O)(=O)c3cnn(C)c3)n2)c1
InChIInChI=1S/C23H28N6O4S/c1-23(10-5-4-6-11-23)19-13-20(33-17-9-7-8-16(12-17)21(30)24-2)27-22(26-19)28-34(31,32)18-14-25-29(3)15-18/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,30)(H,26,27,28)
InChIKeyVNTQDLMZJXVEJN-UHFFFAOYSA-N
XLogP3.38
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246961
4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide
CID 170393008
N-methyl-4-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246990
N-[4-(2,6-dimethylphenyl)-6-(4-dimethylphosphorylphenoxy)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163248104
N-[4-(2,6-dimethylphenyl)-6-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170394170
N-[4-[(6-chloro-3-pyridinyl)oxy]-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247179
N-[4-(2,6-dimethylphenyl)-6-[1-(3-ethoxybenzoyl)azetidin-3-yl]oxypyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170408701
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
N-[4-[4-[2-(dimethylamino)ethyl]phenoxy]-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247164
N-[4-(4-cyano-2,6-dimethylphenoxy)-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163246929
N-[4-cyclohexyloxy-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170392599
methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate
CID 56801259

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide (CID 170394265) is N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide is CNC(=O)c1cccc(Oc2cc(C3(C)CCCCC3)nc(NS(=O)(=O)c3cnn(C)c3)n2)c1.
What is the InChIKey of N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide?
The InChIKey is VNTQDLMZJXVEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-23(10-5-4-6-11-23)19-13-20(33-17-9-7-8-16(12-17)21(30)24-2)27-22(26-19)28-34(31,32)18-14-25-29(3)15-18/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,24,30)(H,26,27,28).
What are the key properties of N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide?
N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide has a molecular weight of 484.58 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 170394265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).