4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide

C17H17F2NO3S — CID 9179771

IUPAC4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(SC)cc2)ccc1OC(F)F
InChIInChI=1S/C17H17F2NO3S/c1-3-22-15-10-11(4-9-14(15)23-17(18)19)16(21)20-12-5-7-13(24-2)8-6-12/h4-10,17H,3H2,1-2H3,(H,20,21)
InChIKeyJFVQBSLBDMBSBF-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.66
Rot. Bonds7

About 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide

4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 9179771) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
PubChem CID9179771
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(SC)cc2)ccc1OC(F)F
InChIInChI=1S/C17H17F2NO3S/c1-3-22-15-10-11(4-9-14(15)23-17(18)19)16(21)20-12-5-7-13(24-2)8-6-12/h4-10,17H,3H2,1-2H3,(H,20,21)
InChIKeyJFVQBSLBDMBSBF-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
N-(4-ethoxy-3-methylphenyl)-4-methylsulfanylbenzamide
CID 86845707
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 2532367
4-(difluoromethoxy)-3-ethoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9072147
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2,6-difluorobenzamide
CID 17021884
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide (CID 9179771) is 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccc(SC)cc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is JFVQBSLBDMBSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c1-3-22-15-10-11(4-9-14(15)23-17(18)19)16(21)20-12-5-7-13(24-2)8-6-12/h4-10,17H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide?
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 353.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9179771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).