3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide

C21H14N4OS — CID 66631868

IUPAC3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide
SMILESN#Cc1cnc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26)
InChIKeyDYSMRUPLJIKSNE-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.88
Rot. Bonds5

About 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide

3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide (PubChem CID 66631868) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide
PubChem CID66631868
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC Name3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide
SMILESN#Cc1cnc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26)
InChIKeyDYSMRUPLJIKSNE-UHFFFAOYSA-N
XLogP3.88
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide?
The IUPAC name of 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide (CID 66631868) is 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide?
The canonical SMILES for 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide is N#Cc1cnc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide?
The InChIKey is DYSMRUPLJIKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c22-10-17-12-25-21(18(11-23)19(17)15-6-2-1-3-7-15)27-13-14-5-4-8-16(9-14)20(24)26/h1-9,12H,13H2,(H2,24,26).
What are the key properties of 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide?
3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide has a molecular weight of 370.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 66631868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).