2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C16H15ClFNOS — CID 112789832

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CSc1ccccc1Cl
InChIInChI=1S/C16H15ClFNOS/c1-19(10-12-6-2-4-8-14(12)18)16(20)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3
InChIKeyHBBWWJKZZSOUBU-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.23
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 112789832) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID112789832
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CSc1ccccc1Cl
InChIInChI=1S/C16H15ClFNOS/c1-19(10-12-6-2-4-8-14(12)18)16(20)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3
InChIKeyHBBWWJKZZSOUBU-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 55583750
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652550
2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353729
N-[(2-fluorophenyl)methyl]-2-(3-hydroxypropylsulfanyl)-N-methylacetamide
CID 66112745
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 9199506
2-(2-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112778891
2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 55400452
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279
ethyl 2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetate
CID 78812762
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 39141553

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 112789832) is 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is HBBWWJKZZSOUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-19(10-12-6-2-4-8-14(12)18)16(20)11-21-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 323.82 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112789832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).