N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide

C17H17ClFNOS — CID 112791579

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFNOS/c1-12-6-3-4-9-16(12)22-11-17(21)20(2)10-13-14(18)7-5-8-15(13)19/h3-9H,10-11H2,1-2H3
InChIKeyXAFNWSWTHZKORV-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.54
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 112791579) has the molecular formula C17H17ClFNOS and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
PubChem CID112791579
Molecular FormulaC17H17ClFNOS
Molecular Weight337.85 g/mol
Exact Mass337.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFNOS/c1-12-6-3-4-9-16(12)22-11-17(21)20(2)10-13-14(18)7-5-8-15(13)19/h3-9H,10-11H2,1-2H3
InChIKeyXAFNWSWTHZKORV-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(2-chlorophenyl)methyl]sulfanyl}propanamide
CID 4987746
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(4-chlorophenyl)methyl]sulfanyl}propanamide
CID 16034235
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 24982639
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(4-methylphenyl)methyl]sulfanyl}propanamide
CID 4086398
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 5057437
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641
N-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]acetamide
CID 2806174
N-(2-chlorobenzyl)-2-[(2-chloro-6-fluorobenzyl)sulfanyl]acetamide
CID 2243462
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(2-fluorophenyl)methyl]sulfanyl}propanamide
CID 5053575
2-(2-Chloro-6-fluoro-phenyl)-3-(5-methylthiophen-2-ylmethyl)-thiazolidin-4-one
CID 25058719
2-[(2,6-dichlorophenyl)methylsulfonyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 40167883
1-(7-(2-Chlorophenyl)-1,4-thiazepan-4-yl)-2-((4-fluorophenyl)thio)ethanone
CID 76151740

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide (CID 112791579) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is XAFNWSWTHZKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNOS/c1-12-6-3-4-9-16(12)22-11-17(21)20(2)10-13-14(18)7-5-8-15(13)19/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 337.85 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 112791579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).