N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide

C18H20N4O3S — CID 166182008

IUPACN-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCc1ccc(Oc2ccc(NS(=O)(=O)c3cn(C(C)C)cn3)cc2)nc1
InChIInChI=1S/C18H20N4O3S/c1-13(2)22-11-18(20-12-22)26(23,24)21-15-5-7-16(8-6-15)25-17-9-4-14(3)10-19-17/h4-13,21H,1-3H3
InChIKeyFGUAUNOPEUVPDW-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.76
Rot. Bonds6

About N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 166182008) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID166182008
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCc1ccc(Oc2ccc(NS(=O)(=O)c3cn(C(C)C)cn3)cc2)nc1
InChIInChI=1S/C18H20N4O3S/c1-13(2)22-11-18(20-12-22)26(23,24)21-15-5-7-16(8-6-15)25-17-9-4-14(3)10-19-17/h4-13,21H,1-3H3
InChIKeyFGUAUNOPEUVPDW-UHFFFAOYSA-N
XLogP3.76
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 166182008) is N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide is Cc1ccc(Oc2ccc(NS(=O)(=O)c3cn(C(C)C)cn3)cc2)nc1.
What is the InChIKey of N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is FGUAUNOPEUVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13(2)22-11-18(20-12-22)26(23,24)21-15-5-7-16(8-6-15)25-17-9-4-14(3)10-19-17/h4-13,21H,1-3H3.
What are the key properties of N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 166182008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).