N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide

C17H18F2N2OS — CID 24510717

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H18F2N2OS/c1-2-12-7-3-4-8-13(12)20-11-16(22)21-14-9-5-6-10-15(14)23-17(18)19/h3-10,17,20H,2,11H2,1H3,(H,21,22)
InChIKeyXBWZYLKMFDRPMY-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.61
Rot. Bonds7

About N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide (PubChem CID 24510717) has the molecular formula C17H18F2N2OS and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
PubChem CID24510717
Molecular FormulaC17H18F2N2OS
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C17H18F2N2OS/c1-2-12-7-3-4-8-13(12)20-11-16(22)21-14-9-5-6-10-15(14)23-17(18)19/h3-10,17,20H,2,11H2,1H3,(H,21,22)
InChIKeyXBWZYLKMFDRPMY-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
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CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17395137
1-[2-(difluoromethylsulfanyl)phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890916
1-[2-(difluoromethylsulfanyl)phenyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 94818398
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
CID 31523997
2-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]butanamide
CID 65225730
1-[2-(difluoromethylsulfanyl)phenyl]-3-pentan-2-ylurea
CID 47032909
N-[2-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide
CID 60842031
N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029705

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide (CID 24510717) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide is CCc1ccccc1NCC(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide?
The InChIKey is XBWZYLKMFDRPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2OS/c1-2-12-7-3-4-8-13(12)20-11-16(22)21-14-9-5-6-10-15(14)23-17(18)19/h3-10,17,20H,2,11H2,1H3,(H,21,22).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide has a molecular weight of 336.41 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(2-ethylanilino)acetamide is sourced from PubChem (CID 24510717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).