4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide

C24H30N6O4S — CID 170393008

IUPAC4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2cc(C3CCCCC3(C)C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1
InChIInChI=1S/C24H30N6O4S/c1-24(2)12-6-5-7-19(24)20-13-21(34-17-10-8-16(9-11-17)22(31)25-3)28-23(27-20)29-35(32,33)18-14-26-30(4)15-18/h8-11,13-15,19H,5-7,12H2,1-4H3,(H,25,31)(H,27,28,29)
InChIKeyRVJXWPQZSZWRIK-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.85
Rot. Bonds7

About 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide

4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide (PubChem CID 170393008) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide
PubChem CID170393008
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC Name4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2cc(C3CCCCC3(C)C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1
InChIInChI=1S/C24H30N6O4S/c1-24(2)12-6-5-7-19(24)20-13-21(34-17-10-8-16(9-11-17)22(31)25-3)28-23(27-20)29-35(32,33)18-14-26-30(4)15-18/h8-11,13-15,19H,5-7,12H2,1-4H3,(H,25,31)(H,27,28,29)
InChIKeyRVJXWPQZSZWRIK-UHFFFAOYSA-N
XLogP3.85
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide with MolForge

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Related Compounds

N-methyl-3-[6-(1-methylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 170394265
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-(4-hydroxypiperidine-1-carbonyl)phenoxy]pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170394170
N-[4-(2,6-dimethylphenyl)-6-(4-dimethylphosphorylphenoxy)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163248104
N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246961
N-[4-[4-[2-(dimethylamino)ethyl]phenoxy]-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247164
N-[4-[(6-chloro-3-pyridinyl)oxy]-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247179
N-[4-cyclohexyloxy-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170392599
N-[4-(2,6-dimethylphenyl)-6-[1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]azetidin-3-yl]oxypyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170393605
4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 47257775
N-[4-(2,6-dimethylphenyl)-6-[4-(2,5-dimethylpiperazin-1-yl)phenoxy]pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170413061
N-[4-[3-[6-(2,6-dimethylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxyazetidine-1-carbonyl]phenyl]acetamide
CID 170409166

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide?
The IUPAC name of 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide (CID 170393008) is 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide.
What is the SMILES notation for 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide?
The canonical SMILES for 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide is CNC(=O)c1ccc(Oc2cc(C3CCCCC3(C)C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1.
What is the InChIKey of 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide?
The InChIKey is RVJXWPQZSZWRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-24(2)12-6-5-7-19(24)20-13-21(34-17-10-8-16(9-11-17)22(31)25-3)28-23(27-20)29-35(32,33)18-14-26-30(4)15-18/h8-11,13-15,19H,5-7,12H2,1-4H3,(H,25,31)(H,27,28,29).
What are the key properties of 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide?
4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide has a molecular weight of 498.61 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,2-dimethylcyclohexyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxy-N-methylbenzamide is sourced from PubChem (CID 170393008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).