2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide

C17H18F2N2O2S2 — CID 23365755

IUPAC2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
SMILESCOc1ccc(C(F)(F)C(=O)Nc2c(SC)cc(C)nc2SC)cc1
InChIInChI=1S/C17H18F2N2O2S2/c1-10-9-13(24-3)14(15(20-10)25-4)21-16(22)17(18,19)11-5-7-12(23-2)8-6-11/h5-9H,1-4H3,(H,21,22)
InChIKeyIAEGTDOQHJAWDJ-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.57
Rot. Bonds6

About 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide

2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide (PubChem CID 23365755) has the molecular formula C17H18F2N2O2S2 and a molecular weight of 384.47 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
PubChem CID23365755
Molecular FormulaC17H18F2N2O2S2
Molecular Weight384.47 g/mol
Exact Mass384.08
IUPAC Name2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
SMILESCOc1ccc(C(F)(F)C(=O)Nc2c(SC)cc(C)nc2SC)cc1
InChIInChI=1S/C17H18F2N2O2S2/c1-10-9-13(24-3)14(15(20-10)25-4)21-16(22)17(18,19)11-5-7-12(23-2)8-6-11/h5-9H,1-4H3,(H,21,22)
InChIKeyIAEGTDOQHJAWDJ-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
CID 23365663
2-[(4-methoxyphenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23365719
2,2-difluoro-2-(4-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 48571112
3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide
CID 18988224
N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 23365771
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
CID 109478476
2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
CID 109478693
2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 109476466
2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
CID 23365635
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide (CID 23365755) is 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide is COc1ccc(C(F)(F)C(=O)Nc2c(SC)cc(C)nc2SC)cc1.
What is the InChIKey of 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The InChIKey is IAEGTDOQHJAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S2/c1-10-9-13(24-3)14(15(20-10)25-4)21-16(22)17(18,19)11-5-7-12(23-2)8-6-11/h5-9H,1-4H3,(H,21,22).
What are the key properties of 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide has a molecular weight of 384.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-methoxyphenyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 23365755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).