N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline

C19H18FNO2S — CID 119033407

IUPACN-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
SMILESCc1cc(F)ccc1-c1ccc(CNc2ccc(S(C)=O)cc2)o1
InChIInChI=1S/C19H18FNO2S/c1-13-11-14(20)3-9-18(13)19-10-6-16(23-19)12-21-15-4-7-17(8-5-15)24(2)22/h3-11,21H,12H2,1-2H3
InChIKeyDVEUSNYNKYZHNG-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.74
Rot. Bonds5

About N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline

N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline (PubChem CID 119033407) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
PubChem CID119033407
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC NameN-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
SMILESCc1cc(F)ccc1-c1ccc(CNc2ccc(S(C)=O)cc2)o1
InChIInChI=1S/C19H18FNO2S/c1-13-11-14(20)3-9-18(13)19-10-6-16(23-19)12-21-15-4-7-17(8-5-15)24(2)22/h3-11,21H,12H2,1-2H3
InChIKeyDVEUSNYNKYZHNG-UHFFFAOYSA-N
XLogP4.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline?
The IUPAC name of N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline (CID 119033407) is N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline.
What is the SMILES notation for N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline?
The canonical SMILES for N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline is Cc1cc(F)ccc1-c1ccc(CNc2ccc(S(C)=O)cc2)o1.
What is the InChIKey of N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline?
The InChIKey is DVEUSNYNKYZHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-13-11-14(20)3-9-18(13)19-10-6-16(23-19)12-21-15-4-7-17(8-5-15)24(2)22/h3-11,21H,12H2,1-2H3.
What are the key properties of N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline?
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline has a molecular weight of 343.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline is sourced from PubChem (CID 119033407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).