N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C16H15F2NOS — CID 7985076

IUPACN-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H15F2NOS/c1-11-5-2-3-6-12(11)9-21-10-15(20)19-16-13(17)7-4-8-14(16)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyKJKZANASKDTPGZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.15
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 7985076) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID7985076
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C16H15F2NOS/c1-11-5-2-3-6-12(11)9-21-10-15(20)19-16-13(17)7-4-8-14(16)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyKJKZANASKDTPGZ-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 7654950
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468628
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28631186
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100719936
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 7985076) is N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is KJKZANASKDTPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-11-5-2-3-6-12(11)9-21-10-15(20)19-16-13(17)7-4-8-14(16)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 307.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 7985076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).