N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide

C25H19N3O4S — CID 68955144

IUPACN-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide
SMILESCS(=O)c1cc(-c2ccccc2OCc2ccccc2)nc(NC(=O)c2ccco2)c1C#N
InChIInChI=1S/C25H19N3O4S/c1-33(30)23-14-20(27-24(19(23)15-26)28-25(29)22-12-7-13-31-22)18-10-5-6-11-21(18)32-16-17-8-3-2-4-9-17/h2-14H,16H2,1H3,(H,27,28,29)
InChIKeyANJACHPJKHWAAH-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.78
Rot. Bonds7

About N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide

N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide (PubChem CID 68955144) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide
PubChem CID68955144
Molecular FormulaC25H19N3O4S
Molecular Weight457.51 g/mol
Exact Mass457.11
IUPAC NameN-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide
SMILESCS(=O)c1cc(-c2ccccc2OCc2ccccc2)nc(NC(=O)c2ccco2)c1C#N
InChIInChI=1S/C25H19N3O4S/c1-33(30)23-14-20(27-24(19(23)15-26)28-25(29)22-12-7-13-31-22)18-10-5-6-11-21(18)32-16-17-8-3-2-4-9-17/h2-14H,16H2,1H3,(H,27,28,29)
InChIKeyANJACHPJKHWAAH-UHFFFAOYSA-N
XLogP4.78
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide (CID 68955144) is N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide is CS(=O)c1cc(-c2ccccc2OCc2ccccc2)nc(NC(=O)c2ccco2)c1C#N.
What is the InChIKey of N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is ANJACHPJKHWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-33(30)23-14-20(27-24(19(23)15-26)28-25(29)22-12-7-13-31-22)18-10-5-6-11-21(18)32-16-17-8-3-2-4-9-17/h2-14H,16H2,1H3,(H,27,28,29).
What are the key properties of N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide?
N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-methylsulfinyl-6-(2-phenylmethoxyphenyl)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 68955144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).