2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide

C28H21N5OS — CID 58739847

IUPAC2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide
SMILESN#Cc1c(N)nc(SC(C(=O)NCc2ccccc2)c2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C28H21N5OS/c29-16-22-24(20-12-6-2-7-13-20)23(17-30)28(33-26(22)31)35-25(21-14-8-3-9-15-21)27(34)32-18-19-10-4-1-5-11-19/h1-15,25H,18H2,(H2,31,33)(H,32,34)
InChIKeyRDUAVGLGKQAROI-UHFFFAOYSA-N
MW475.58 g/mol
LogP5.22
Rot. Bonds7

About 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide

2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide (PubChem CID 58739847) has the molecular formula C28H21N5OS and a molecular weight of 475.58 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide
PubChem CID58739847
Molecular FormulaC28H21N5OS
Molecular Weight475.58 g/mol
Exact Mass475.15
IUPAC Name2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide
SMILESN#Cc1c(N)nc(SC(C(=O)NCc2ccccc2)c2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C28H21N5OS/c29-16-22-24(20-12-6-2-7-13-20)23(17-30)28(33-26(22)31)35-25(21-14-8-3-9-15-21)27(34)32-18-19-10-4-1-5-11-19/h1-15,25H,18H2,(H2,31,33)(H,32,34)
InChIKeyRDUAVGLGKQAROI-UHFFFAOYSA-N
XLogP5.22
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.58
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide with MolForge

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Related Compounds

2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270249
2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 58739814
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270242
methyl 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetate
CID 135980955
2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58739611
benzyl 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]acetate
CID 1076770
2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
CID 58739468
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
[2-(benzylamino)-2-oxo-1-phenylethyl] thiocyanate
CID 135051211
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
(2R)-2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 125117590
2-[4-[[2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetyl]amino]phenyl]quinoline-4-carboxylic acid
CID 21173159

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide (CID 58739847) is 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide is N#Cc1c(N)nc(SC(C(=O)NCc2ccccc2)c2ccccc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide?
The InChIKey is RDUAVGLGKQAROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5OS/c29-16-22-24(20-12-6-2-7-13-20)23(17-30)28(33-26(22)31)35-25(21-14-8-3-9-15-21)27(34)32-18-19-10-4-1-5-11-19/h1-15,25H,18H2,(H2,31,33)(H,32,34).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide?
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide has a molecular weight of 475.58 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide is sourced from PubChem (CID 58739847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).