2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide

C21H20N2OS — CID 27896934

IUPAC2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS/c1-16-9-8-14-22-21(16)23-19(24)15-25-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14,20H,15H2,1H3,(H,22,23,24)
InChIKeyVTNRLUWYGAGNFP-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.85
Rot. Bonds6

About 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide

2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 27896934) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID27896934
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS/c1-16-9-8-14-22-21(16)23-19(24)15-25-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14,20H,15H2,1H3,(H,22,23,24)
InChIKeyVTNRLUWYGAGNFP-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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Related Compounds

2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 46651551
N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
CID 52671364
N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3398462
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
CID 46267500
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
CID 126172286
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
CID 126174272
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 99136888

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide (CID 27896934) is 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1NC(=O)CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is VTNRLUWYGAGNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16-9-8-14-22-21(16)23-19(24)15-25-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14,20H,15H2,1H3,(H,22,23,24).
What are the key properties of 2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide?
2-benzhydrylsulfanyl-N-(3-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-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 27896934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).