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

C17H17F2NO2S — CID 26800978

IUPACN-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO2S/c1-12-2-8-15(9-3-12)23-11-10-16(21)20-13-4-6-14(7-5-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyPIVOZDJOMQFDLX-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.72
Rot. Bonds7

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

N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 26800978) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID26800978
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO2S/c1-12-2-8-15(9-3-12)23-11-10-16(21)20-13-4-6-14(7-5-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyPIVOZDJOMQFDLX-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 7941129
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
1-[4-(difluoromethoxy)phenyl]-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]thiourea
CID 8682801
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007817
N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide
CID 134034634
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 26800978) is N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)Nc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is PIVOZDJOMQFDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c1-12-2-8-15(9-3-12)23-11-10-16(21)20-13-4-6-14(7-5-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 337.39 g/mol, XLogP of 4.72, 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-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 26800978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).