ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane

C22H32FNOS — CID 143810158

IUPACethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane
SMILESC.CC.CNc1cccc(-c2c(OC)ccc(CC3CCCS3)c2F)c1
InChIInChI=1S/C19H22FNOS.C2H6.CH4/c1-21-15-6-3-5-13(11-15)18-17(22-2)9-8-14(19(18)20)12-16-7-4-10-23-16;1-2;/h3,5-6,8-9,11,16,21H,4,7,10,12H2,1-2H3;1-2H3;1H4
InChIKeyBUQONVSBOCSENG-UHFFFAOYSA-N
MW377.57 g/mol
LogP6.64
Rot. Bonds5

About ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane

ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane (PubChem CID 143810158) has the molecular formula C22H32FNOS and a molecular weight of 377.57 g/mol. Its IUPAC name is ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane.

Molecular Properties

Compound Nameethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane
PubChem CID143810158
Molecular FormulaC22H32FNOS
Molecular Weight377.57 g/mol
Exact Mass377.22
IUPAC Nameethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane
SMILESC.CC.CNc1cccc(-c2c(OC)ccc(CC3CCCS3)c2F)c1
InChIInChI=1S/C19H22FNOS.C2H6.CH4/c1-21-15-6-3-5-13(11-15)18-17(22-2)9-8-14(19(18)20)12-16-7-4-10-23-16;1-2;/h3,5-6,8-9,11,16,21H,4,7,10,12H2,1-2H3;1-2H3;1H4
InChIKeyBUQONVSBOCSENG-UHFFFAOYSA-N
XLogP6.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane?
The IUPAC name of ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane (CID 143810158) is ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane.
What is the SMILES notation for ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane?
The canonical SMILES for ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane is C.CC.CNc1cccc(-c2c(OC)ccc(CC3CCCS3)c2F)c1.
What is the InChIKey of ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane?
The InChIKey is BUQONVSBOCSENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS.C2H6.CH4/c1-21-15-6-3-5-13(11-15)18-17(22-2)9-8-14(19(18)20)12-16-7-4-10-23-16;1-2;/h3,5-6,8-9,11,16,21H,4,7,10,12H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane?
ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane has a molecular weight of 377.57 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-fluoro-6-methoxy-3-(thiolan-2-ylmethyl)phenyl]-N-methylaniline;methane is sourced from PubChem (CID 143810158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).