1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide

C17H19N5O3S — CID 122302549

IUPAC1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cn1C
InChIInChI=1S/C17H19N5O3S/c1-12(2)16-20-15(11-22(16)3)26(23,24)21-13-9-18-17(19-10-13)25-14-7-5-4-6-8-14/h4-12,21H,1-3H3
InChIKeyNFBWSKFLLZPDQA-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.93
Rot. Bonds6

About 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide

1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 122302549) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID122302549
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cn1C
InChIInChI=1S/C17H19N5O3S/c1-12(2)16-20-15(11-22(16)3)26(23,24)21-13-9-18-17(19-10-13)25-14-7-5-4-6-8-14/h4-12,21H,1-3H3
InChIKeyNFBWSKFLLZPDQA-UHFFFAOYSA-N
XLogP2.93
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122309537
(2R)-2-[(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 122069499
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302577
1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide
CID 122302530
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
1-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122296255
1-methyl-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122286920
N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122302547
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 122356419
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 121176610

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide (CID 122302549) is 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cn1C.
What is the InChIKey of 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is NFBWSKFLLZPDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-12(2)16-20-15(11-22(16)3)26(23,24)21-13-9-18-17(19-10-13)25-14-7-5-4-6-8-14/h4-12,21H,1-3H3.
What are the key properties of 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide?
1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenoxypyrimidin-5-yl)-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 122302549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).