1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide

C16H25N3O3S — CID 155235725

IUPAC1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide
SMILESCC(C)Cc1c(OCC2=NCCN2)cccc1C(C)S(N)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-11(2)9-14-13(12(3)23(17,20)21)5-4-6-15(14)22-10-16-18-7-8-19-16/h4-6,11-12H,7-10H2,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyIVMLGJCVTLSCKD-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.62
Rot. Bonds7

About 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide

1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide (PubChem CID 155235725) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide
PubChem CID155235725
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide
SMILESCC(C)Cc1c(OCC2=NCCN2)cccc1C(C)S(N)(=O)=O
InChIInChI=1S/C16H25N3O3S/c1-11(2)9-14-13(12(3)23(17,20)21)5-4-6-15(14)22-10-16-18-7-8-19-16/h4-6,11-12H,7-10H2,1-3H3,(H,18,19)(H2,17,20,21)
InChIKeyIVMLGJCVTLSCKD-UHFFFAOYSA-N
XLogP1.62
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide?
The IUPAC name of 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide (CID 155235725) is 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide?
The canonical SMILES for 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide is CC(C)Cc1c(OCC2=NCCN2)cccc1C(C)S(N)(=O)=O.
What is the InChIKey of 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide?
The InChIKey is IVMLGJCVTLSCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11(2)9-14-13(12(3)23(17,20)21)5-4-6-15(14)22-10-16-18-7-8-19-16/h4-6,11-12H,7-10H2,1-3H3,(H,18,19)(H2,17,20,21).
What are the key properties of 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide?
1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-(2-methylpropyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 155235725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).