1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide

C22H24N6O3S — CID 122309537

IUPAC1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3cn(C)c(C(C)C)n3)cc2)cc(-n2cccc2)n1
InChIInChI=1S/C22H24N6O3S/c1-15(2)22-25-21(14-27(22)4)32(29,30)26-17-7-9-18(10-8-17)31-20-13-19(23-16(3)24-20)28-11-5-6-12-28/h5-15,26H,1-4H3
InChIKeyYNNZNWLBIUJBTM-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.03
Rot. Bonds7

About 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide

1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122309537) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID122309537
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCc1nc(Oc2ccc(NS(=O)(=O)c3cn(C)c(C(C)C)n3)cc2)cc(-n2cccc2)n1
InChIInChI=1S/C22H24N6O3S/c1-15(2)22-25-21(14-27(22)4)32(29,30)26-17-7-9-18(10-8-17)31-20-13-19(23-16(3)24-20)28-11-5-6-12-28/h5-15,26H,1-4H3
InChIKeyYNNZNWLBIUJBTM-UHFFFAOYSA-N
XLogP4.03
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309298
2,5-dichloro-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309310
2-methoxy-5-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309320
1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide
CID 122302549
(E)-2-(4-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]ethenesulfonamide
CID 122309492
1-ethyl-N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-methylimidazole-4-sulfonamide
CID 122313305
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122309507
1-ethyl-2-methyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]imidazole-4-sulfonamide
CID 122310282
1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea
CID 122309272
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122309503
1-(2,5-difluorophenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]methanesulfonamide
CID 122309495
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-2-carboxamide
CID 122309228

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 122309537) is 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide is Cc1nc(Oc2ccc(NS(=O)(=O)c3cn(C)c(C(C)C)n3)cc2)cc(-n2cccc2)n1.
What is the InChIKey of 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is YNNZNWLBIUJBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-15(2)22-25-21(14-27(22)4)32(29,30)26-17-7-9-18(10-8-17)31-20-13-19(23-16(3)24-20)28-11-5-6-12-28/h5-15,26H,1-4H3.
What are the key properties of 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 452.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122309537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).