formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine

C19H27N3O6S — CID 163334791

IUPACformic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
SMILESCOc1cc(C)c(-c2nccn2CCS(=O)(=O)N2CCOCC2)cc1C.O=CO
InChIInChI=1S/C18H25N3O4S.CH2O2/c1-14-13-17(24-3)15(2)12-16(14)18-19-4-5-20(18)8-11-26(22,23)21-6-9-25-10-7-21;2-1-3/h4-5,12-13H,6-11H2,1-3H3;1H,(H,2,3)
InChIKeyHSNKRZCPZARTJA-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.54
Rot. Bonds6

About formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine

formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine (PubChem CID 163334791) has the molecular formula C19H27N3O6S and a molecular weight of 425.51 g/mol. Its IUPAC name is formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine.

Molecular Properties

Compound Nameformic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
PubChem CID163334791
Molecular FormulaC19H27N3O6S
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Nameformic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
SMILESCOc1cc(C)c(-c2nccn2CCS(=O)(=O)N2CCOCC2)cc1C.O=CO
InChIInChI=1S/C18H25N3O4S.CH2O2/c1-14-13-17(24-3)15(2)12-16(14)18-19-4-5-20(18)8-11-26(22,23)21-6-9-25-10-7-21;2-1-3/h4-5,12-13H,6-11H2,1-3H3;1H,(H,2,3)
InChIKeyHSNKRZCPZARTJA-UHFFFAOYSA-N
XLogP1.54
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The IUPAC name of formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine (CID 163334791) is formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine.
What is the SMILES notation for formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The canonical SMILES for formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine is COc1cc(C)c(-c2nccn2CCS(=O)(=O)N2CCOCC2)cc1C.O=CO.
What is the InChIKey of formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The InChIKey is HSNKRZCPZARTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S.CH2O2/c1-14-13-17(24-3)15(2)12-16(14)18-19-4-5-20(18)8-11-26(22,23)21-6-9-25-10-7-21;2-1-3/h4-5,12-13H,6-11H2,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine has a molecular weight of 425.51 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[2-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine is sourced from PubChem (CID 163334791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).