1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide

C25H27N5O3S — CID 163246988

IUPAC1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide
SMILESCCCc1c(Oc2ccccc2C)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C
InChIInChI=1S/C25H27N5O3S/c1-5-10-21-23(20-13-8-6-11-17(20)2)27-25(29-34(31,32)19-15-26-30(4)16-19)28-24(21)33-22-14-9-7-12-18(22)3/h6-9,11-16H,5,10H2,1-4H3,(H,27,28,29)
InChIKeyPHVFISOSOWQAOU-UHFFFAOYSA-N
MW477.59 g/mol
LogP5.04
Rot. Bonds8

About 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide

1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide (PubChem CID 163246988) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide
PubChem CID163246988
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide
SMILESCCCc1c(Oc2ccccc2C)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C
InChIInChI=1S/C25H27N5O3S/c1-5-10-21-23(20-13-8-6-11-17(20)2)27-25(29-34(31,32)19-15-26-30(4)16-19)28-24(21)33-22-14-9-7-12-18(22)3/h6-9,11-16H,5,10H2,1-4H3,(H,27,28,29)
InChIKeyPHVFISOSOWQAOU-UHFFFAOYSA-N
XLogP5.04
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247437
N-[4-chloro-5-ethyl-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247550
N-[4-chloro-5-methoxy-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247125
N-methyl-4-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246990
N-[4-chloro-5-(difluoromethyl)-6-(2-methylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247809
N-methyl-3-[5-methyl-6-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]pyrimidin-4-yl]oxybenzamide
CID 163246961
N-[4-[2-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-5-ethyl-6-[2-(2-methylpropoxy)phenyl]pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247110
N-[4-[2-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-6-(3,5-dimethyl-4-pyridinyl)-5-ethylpyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170394695
N-[4-[2-chloro-3-(4-methylpiperazin-1-yl)phenoxy]-5-ethyl-6-(2-methylphenyl)pyrimidin-2-yl]-1H-pyrazole-4-sulfonamide
CID 163248014
1-methyl-N-[4-(2-methylphenyl)-6-[3-(1-methylpiperidin-4-yl)phenoxy]-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]pyrazole-4-sulfonamide
CID 163247757
N-[4-(2-chloro-6-methylphenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247143
N-[5-ethyl-4-(4-methoxy-2,6-dimethylphenyl)-6-(4-piperazin-1-ylphenoxy)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170394660

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide (CID 163246988) is 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide is CCCc1c(Oc2ccccc2C)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C.
What is the InChIKey of 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide?
The InChIKey is PHVFISOSOWQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-5-10-21-23(20-13-8-6-11-17(20)2)27-25(29-34(31,32)19-15-26-30(4)16-19)28-24(21)33-22-14-9-7-12-18(22)3/h6-9,11-16H,5,10H2,1-4H3,(H,27,28,29).
What are the key properties of 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide?
1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide has a molecular weight of 477.59 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)-5-propylpyrimidin-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 163246988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).