5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide

C18H19N3O2S — CID 91785737

IUPAC5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(C)c2ccccc2-n2cccn2)o1
InChIInChI=1S/C18H19N3O2S/c1-13(20-18(22)17-9-8-14(23-17)12-24-2)15-6-3-4-7-16(15)21-11-5-10-19-21/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyOXKGSFUQPZCFIY-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.82
Rot. Bonds6

About 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide

5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 91785737) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
PubChem CID91785737
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NC(C)c2ccccc2-n2cccn2)o1
InChIInChI=1S/C18H19N3O2S/c1-13(20-18(22)17-9-8-14(23-17)12-24-2)15-6-3-4-7-16(15)21-11-5-10-19-21/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyOXKGSFUQPZCFIY-UHFFFAOYSA-N
XLogP3.82
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide (CID 91785737) is 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide is CSCc1ccc(C(=O)NC(C)c2ccccc2-n2cccn2)o1.
What is the InChIKey of 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is OXKGSFUQPZCFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(20-18(22)17-9-8-14(23-17)12-24-2)15-6-3-4-7-16(15)21-11-5-10-19-21/h3-11,13H,12H2,1-2H3,(H,20,22).
What are the key properties of 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide?
5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 91785737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).