2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

C27H23N5O3S2 — CID 25049539

IUPAC2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C27H23N5O3S2/c1-2-24(36-27-20(18-28)11-16-23(31-27)19-8-4-3-5-9-19)26(33)30-21-12-14-22(15-13-21)37(34,35)32-25-10-6-7-17-29-25/h3-17,24H,2H2,1H3,(H,29,32)(H,30,33)
InChIKeyRMWIPYUWSCENOA-UHFFFAOYSA-N
MW529.65 g/mol
LogP5.33
Rot. Bonds9

About 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 25049539) has the molecular formula C27H23N5O3S2 and a molecular weight of 529.65 g/mol. Its IUPAC name is 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID25049539
Molecular FormulaC27H23N5O3S2
Molecular Weight529.65 g/mol
Exact Mass529.12
IUPAC Name2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C27H23N5O3S2/c1-2-24(36-27-20(18-28)11-16-23(31-27)19-8-4-3-5-9-19)26(33)30-21-12-14-22(15-13-21)37(34,35)32-25-10-6-7-17-29-25/h3-17,24H,2H2,1H3,(H,29,32)(H,30,33)
InChIKeyRMWIPYUWSCENOA-UHFFFAOYSA-N
XLogP5.33
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.65
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide with MolForge

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Related Compounds

2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 25037088
2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038425
2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25042201
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25045421
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]butanamide
CID 25039769
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 25034847
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25048922
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25042188
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 25038454
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 23742412
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25043711
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25045521

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (CID 25049539) is 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is CCC(Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is RMWIPYUWSCENOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3S2/c1-2-24(36-27-20(18-28)11-16-23(31-27)19-8-4-3-5-9-19)26(33)30-21-12-14-22(15-13-21)37(34,35)32-25-10-6-7-17-29-25/h3-17,24H,2H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 529.65 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 25049539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).