2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide

C24H19N5OS — CID 78902311

IUPAC2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
SMILESCc1nccn1-c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1
InChIInChI=1S/C24H19N5OS/c1-17-26-12-13-29(17)23-11-10-20(15-27-23)28-24(30)21-4-2-3-5-22(21)31-16-19-8-6-18(14-25)7-9-19/h2-13,15H,16H2,1H3,(H,28,30)
InChIKeySCXFPLNNFGIYMT-UHFFFAOYSA-N
MW425.52 g/mol
LogP4.99
Rot. Bonds6

About 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide

2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 78902311) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
PubChem CID78902311
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
SMILESCc1nccn1-c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1
InChIInChI=1S/C24H19N5OS/c1-17-26-12-13-29(17)23-11-10-20(15-27-23)28-24(30)21-4-2-3-5-22(21)31-16-19-8-6-18(14-25)7-9-19/h2-13,15H,16H2,1H3,(H,28,30)
InChIKeySCXFPLNNFGIYMT-UHFFFAOYSA-N
XLogP4.99
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112759144
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
CID 71691689
N-(3-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112763239
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 112791205
2-benzylsulfanyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908476
2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 75434860
2-[(4-cyanophenyl)methylsulfanyl]-N-propylbenzamide
CID 30878901
N-(2-acetamidoethyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 78772625
2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
CID 55559844
3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564970
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide
CID 87018905

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide (CID 78902311) is 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide is Cc1nccn1-c1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1.
What is the InChIKey of 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is SCXFPLNNFGIYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-17-26-12-13-29(17)23-11-10-20(15-27-23)28-24(30)21-4-2-3-5-22(21)31-16-19-8-6-18(14-25)7-9-19/h2-13,15H,16H2,1H3,(H,28,30).
What are the key properties of 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide?
2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 425.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylsulfanyl]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 78902311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).