5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide

C20H18FNO3S — CID 119032734

IUPAC5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide
SMILESCc1c(CS(C)=O)cccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H18FNO3S/c1-13-15(12-26(2)24)4-3-5-17(13)22-20(23)19-11-10-18(25-19)14-6-8-16(21)9-7-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyRESLIIKYLIJSGF-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.52
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide (PubChem CID 119032734) has the molecular formula C20H18FNO3S and a molecular weight of 371.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide
PubChem CID119032734
Molecular FormulaC20H18FNO3S
Molecular Weight371.43 g/mol
Exact Mass371.10
IUPAC Name5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide
SMILESCc1c(CS(C)=O)cccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H18FNO3S/c1-13-15(12-26(2)24)4-3-5-17(13)22-20(23)19-11-10-18(25-19)14-6-8-16(21)9-7-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyRESLIIKYLIJSGF-UHFFFAOYSA-N
XLogP4.52
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 31969106
N-(2-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 3436050
5-(4-ethylphenyl)-N-(2-methyl-3-methylsulfonylphenyl)furan-2-carboxamide
CID 99633926
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 17424931
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
2-amino-2-methyl-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]pentanamide
CID 119790095
N-[2-(cyclopropylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 29353067
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9069417
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide (CID 119032734) is 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide is Cc1c(CS(C)=O)cccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is RESLIIKYLIJSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3S/c1-13-15(12-26(2)24)4-3-5-17(13)22-20(23)19-11-10-18(25-19)14-6-8-16(21)9-7-14/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-methyl-3-(methylsulfinylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 119032734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).