N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide

C16H24N4O3S — CID 126787756

IUPACN-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCC(C)Oc1cc(CNS(=O)(=O)c2cn(C(C)C)cn2)ccn1
InChIInChI=1S/C16H24N4O3S/c1-5-13(4)23-15-8-14(6-7-17-15)9-19-24(21,22)16-10-20(11-18-16)12(2)3/h6-8,10-13,19H,5,9H2,1-4H3
InChIKeyIFXMPWUQWUPQMK-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.51
Rot. Bonds8

About N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 126787756) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID126787756
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCCC(C)Oc1cc(CNS(=O)(=O)c2cn(C(C)C)cn2)ccn1
InChIInChI=1S/C16H24N4O3S/c1-5-13(4)23-15-8-14(6-7-17-15)9-19-24(21,22)16-10-20(11-18-16)12(2)3/h6-8,10-13,19H,5,9H2,1-4H3
InChIKeyIFXMPWUQWUPQMK-UHFFFAOYSA-N
XLogP2.51
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 99696816
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 122254127
N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 126831250
3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
CID 71910816
N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 97338998
3-[(2-butan-2-yloxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009244
3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 62991122
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 126855313
1-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122327738
N-[[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]methyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 124918146
4-[(dimethylsulfamoylamino)methyl]-2-ethoxypyridine
CID 75416252
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 126787756) is N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide is CCC(C)Oc1cc(CNS(=O)(=O)c2cn(C(C)C)cn2)ccn1.
What is the InChIKey of N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is IFXMPWUQWUPQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-5-13(4)23-15-8-14(6-7-17-15)9-19-24(21,22)16-10-20(11-18-16)12(2)3/h6-8,10-13,19H,5,9H2,1-4H3.
What are the key properties of N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxy-4-pyridinyl)methyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 126787756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).