2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide

C21H20N2OS — CID 46651551

IUPAC2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C21H20N2OS/c1-16-12-13-19(22-14-16)23-20(24)15-25-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,22,23,24)
InChIKeyOBKXSEPTXWIFDH-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.85
Rot. Bonds6

About 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide

2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 46651551) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID46651551
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C21H20N2OS/c1-16-12-13-19(22-14-16)23-20(24)15-25-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,22,23,24)
InChIKeyOBKXSEPTXWIFDH-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide (CID 46651551) is 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is OBKXSEPTXWIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16-12-13-19(22-14-16)23-20(24)15-25-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,22,23,24).
What are the key properties of 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide?
2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 46651551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).