2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide

C17H18F2N2O3S — CID 17395137

IUPAC2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2SC(F)F)c(OC)c1
InChIInChI=1S/C17H18F2N2O3S/c1-23-11-7-8-12(14(9-11)24-2)21-16(22)10-20-13-5-3-4-6-15(13)25-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22)
InChIKeyCMTWSVBKKRWSJI-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.07
Rot. Bonds8

About 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide

2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 17395137) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID17395137
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2SC(F)F)c(OC)c1
InChIInChI=1S/C17H18F2N2O3S/c1-23-11-7-8-12(14(9-11)24-2)21-16(22)10-20-13-5-3-4-6-15(13)25-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22)
InChIKeyCMTWSVBKKRWSJI-UHFFFAOYSA-N
XLogP4.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983616
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
N-[2-(difluoromethoxy)phenyl]-2-(4-methoxy-2-methylanilino)acetamide
CID 51108580
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-(2,4-dimethoxyphenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082798
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
CID 24510717
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 42996619
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide (CID 17395137) is 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2ccccc2SC(F)F)c(OC)c1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is CMTWSVBKKRWSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-23-11-7-8-12(14(9-11)24-2)21-16(22)10-20-13-5-3-4-6-15(13)25-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 368.41 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 17395137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).