N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide

C20H21N3O4S — CID 122303666

IUPACN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc1C
InChIInChI=1S/C20H21N3O4S/c1-13-12-17(10-11-18(13)26-4)28(24,25)23-19-14(2)21-20(22-15(19)3)27-16-8-6-5-7-9-16/h5-12,23H,1-4H3
InChIKeyVTDZIFKUHUDMGQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.00
Rot. Bonds6

About N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 122303666) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID122303666
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc1C
InChIInChI=1S/C20H21N3O4S/c1-13-12-17(10-11-18(13)26-4)28(24,25)23-19-14(2)21-20(22-15(19)3)27-16-8-6-5-7-9-16/h5-12,23H,1-4H3
InChIKeyVTDZIFKUHUDMGQ-UHFFFAOYSA-N
XLogP4.00
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122303656
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 91968536
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122303890
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122356165
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 28690712
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 122303666) is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc1C.
What is the InChIKey of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is VTDZIFKUHUDMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-12-17(10-11-18(13)26-4)28(24,25)23-19-14(2)21-20(22-15(19)3)27-16-8-6-5-7-9-16/h5-12,23H,1-4H3.
What are the key properties of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 122303666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).