2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide

C18H19F2NO2S — CID 134049948

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H19F2NO2S/c1-13-3-6-15(7-4-13)23-10-9-21(2)18(22)12-24-17-8-5-14(19)11-16(17)20/h3-8,11H,9-10,12H2,1-2H3
InChIKeyXNGVYEISTFDYDQ-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.90
Rot. Bonds7

About 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 134049948) has the molecular formula C18H19F2NO2S and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID134049948
Molecular FormulaC18H19F2NO2S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H19F2NO2S/c1-13-3-6-15(7-4-13)23-10-9-21(2)18(22)12-24-17-8-5-14(19)11-16(17)20/h3-8,11H,9-10,12H2,1-2H3
InChIKeyXNGVYEISTFDYDQ-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2,4-difluorophenyl)sulfanylacetyl]-methylamino]butanoic acid
CID 43360108
methyl 4-[[2-(2,4-difluorophenyl)sulfanylacetyl]-methylamino]butanoate
CID 60714284
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 134049964
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 134049948) is 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCN(C)C(=O)CSc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is XNGVYEISTFDYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2S/c1-13-3-6-15(7-4-13)23-10-9-21(2)18(22)12-24-17-8-5-14(19)11-16(17)20/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 351.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 134049948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).