N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide

C17H17F2NO3S — CID 26908446

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC
InChIInChI=1S/C17H17F2NO3S/c1-3-23-14-9-4-11(10-15(14)22-2)16(21)20-12-5-7-13(8-6-12)24-17(18)19/h4-10,17H,3H2,1-2H3,(H,20,21)
InChIKeyTWOHQPMIPWMPSO-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.66
Rot. Bonds7

About N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide (PubChem CID 26908446) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
PubChem CID26908446
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC
InChIInChI=1S/C17H17F2NO3S/c1-3-23-14-9-4-11(10-15(14)22-2)16(21)20-12-5-7-13(8-6-12)24-17(18)19/h4-10,17H,3H2,1-2H3,(H,20,21)
InChIKeyTWOHQPMIPWMPSO-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

3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340
N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide (CID 26908446) is N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The InChIKey is TWOHQPMIPWMPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c1-3-23-14-9-4-11(10-15(14)22-2)16(21)20-12-5-7-13(8-6-12)24-17(18)19/h4-10,17H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide 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 N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 26908446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).