(E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine

C19H17NO3S2 — CID 10406923

IUPAC(E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine
SMILESC/C(=N\Oc1ccccc1)c1sccc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17NO3S2/c1-14(20-23-16-6-4-3-5-7-16)19-18(12-13-24-19)15-8-10-17(11-9-15)25(2,21)22/h3-13H,1-2H3/b20-14+
InChIKeyCCZQNWOAZKPTAY-XSFVSMFZSA-N
MW371.48 g/mol
LogP4.62
Rot. Bonds5

About (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine

(E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine (PubChem CID 10406923) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine.

Molecular Properties

Compound Name(E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine
PubChem CID10406923
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name(E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine
SMILESC/C(=N\Oc1ccccc1)c1sccc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17NO3S2/c1-14(20-23-16-6-4-3-5-7-16)19-18(12-13-24-19)15-8-10-17(11-9-15)25(2,21)22/h3-13H,1-2H3/b20-14+
InChIKeyCCZQNWOAZKPTAY-XSFVSMFZSA-N
XLogP4.62
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine?
The IUPAC name of (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine (CID 10406923) is (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine.
What is the SMILES notation for (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine?
The canonical SMILES for (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine is C/C(=N\Oc1ccccc1)c1sccc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine?
The InChIKey is CCZQNWOAZKPTAY-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-14(20-23-16-6-4-3-5-7-16)19-18(12-13-24-19)15-8-10-17(11-9-15)25(2,21)22/h3-13H,1-2H3/b20-14+.
What are the key properties of (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine?
(E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine has a molecular weight of 371.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(4-methylsulfonylphenyl)thiophen-2-yl]-N-phenoxyethanimine is sourced from PubChem (CID 10406923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).