N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide

C16H14F3NO2S — CID 7941129

IUPACN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3NO2S/c17-11-1-7-14(8-2-11)23-10-9-15(21)20-12-3-5-13(6-4-12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyCYZZEBUGZJBXIX-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.55
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 7941129) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID7941129
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3NO2S/c17-11-1-7-14(8-2-11)23-10-9-15(21)20-12-3-5-13(6-4-12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyCYZZEBUGZJBXIX-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8502565
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
CID 926005
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 7941129) is N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is CYZZEBUGZJBXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c17-11-1-7-14(8-2-11)23-10-9-15(21)20-12-3-5-13(6-4-12)22-16(18)19/h1-8,16H,9-10H2,(H,20,21).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 341.35 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7941129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).