N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide

C16H16FNOS — CID 3793688

IUPACN-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNOS/c1-11(2)16(19)18-13-5-9-15(10-6-13)20-14-7-3-12(17)4-8-14/h3-11H,1-2H3,(H,18,19)
InChIKeyXNWPAGGFQVQFSC-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.57
Rot. Bonds4

About N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide

N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide (PubChem CID 3793688) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide
PubChem CID3793688
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNOS/c1-11(2)16(19)18-13-5-9-15(10-6-13)20-14-7-3-12(17)4-8-14/h3-11H,1-2H3,(H,18,19)
InChIKeyXNWPAGGFQVQFSC-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acedapsone
CID 6477
Monoacetyldapsone
CID 11257
2-Acetamidophenyl phenyl sulfide
CID 365383
4'-(Methylthio)acetanilide
CID 289475
Acetamide, N,N'-(dithiodi-4,1-phenylene)bis-
CID 85592
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
Acetamide, N-(4-(phenylthio)phenyl)-
CID 148713
S-(4-acetamidophenyl) ethanethioate
CID 247471
2-(benzylthio)-N-(4-fluorophenyl)propanamide
CID 2899728
N-[3-(3-Isobutyrylamino-benzenesulfonyl)-phenyl]-isobutyramide
CID 1370321
2-methyl-N-[3-(methylsulfanyl)phenyl]propanamide
CID 837891
N-[4-[4-(2,2-dimethylpropanoylamino)phenyl]sulfonylphenyl]-2,2-dimethylpropanamide
CID 265982

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide (CID 3793688) is N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Sc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide?
The InChIKey is XNWPAGGFQVQFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-11(2)16(19)18-13-5-9-15(10-6-13)20-14-7-3-12(17)4-8-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide?
N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)sulfanylphenyl]-2-methylpropanamide is sourced from PubChem (CID 3793688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).