N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide

C17H17F2NO2S — CID 2115682

IUPACN-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2OC(F)F)cc1C
InChIInChI=1S/C17H17F2NO2S/c1-11-7-8-13(9-12(11)2)23-10-16(21)20-14-5-3-4-6-15(14)22-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeyKEQSLHNJWBVZEJ-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide

N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2115682) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID2115682
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2OC(F)F)cc1C
InChIInChI=1S/C17H17F2NO2S/c1-11-7-8-13(9-12(11)2)23-10-16(21)20-14-5-3-4-6-15(14)22-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21)
InChIKeyKEQSLHNJWBVZEJ-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 2115682) is N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccccc2OC(F)F)cc1C.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is KEQSLHNJWBVZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c1-11-7-8-13(9-12(11)2)23-10-16(21)20-14-5-3-4-6-15(14)22-17(18)19/h3-9,17H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 337.39 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2115682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).