5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide

C18H13ClFNO2S — CID 2804180

IUPAC5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H13ClFNO2S/c19-12-1-8-16(9-2-12)24-11-15-7-10-17(23-15)18(22)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,22)
InChIKeyHJVCNPHUVXWDMA-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.62
Rot. Bonds5

About 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide

5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 2804180) has the molecular formula C18H13ClFNO2S and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID2804180
Molecular FormulaC18H13ClFNO2S
Molecular Weight361.83 g/mol
Exact Mass361.03
IUPAC Name5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H13ClFNO2S/c19-12-1-8-16(9-2-12)24-11-15-7-10-17(23-15)18(22)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,22)
InChIKeyHJVCNPHUVXWDMA-UHFFFAOYSA-N
XLogP5.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
CID 3754740
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
[4-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl] thiocyanate
CID 2985076
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-fluorophenyl)-5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide
CID 6402607
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22776204
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]carbamoyl]-2-fluorobenzamide
CID 20524501

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 2804180) is 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is HJVCNPHUVXWDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2S/c19-12-1-8-16(9-2-12)24-11-15-7-10-17(23-15)18(22)21-14-5-3-13(20)4-6-14/h1-10H,11H2,(H,21,22).
What are the key properties of 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 2804180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).