N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide

C18H17F2NO2S — CID 8837263

IUPACN-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2NO2S/c1-11(2)18(23)21-14-6-3-12(4-7-14)16(22)10-24-17-8-5-13(19)9-15(17)20/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyYJEYYLITVNFBRF-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.53
Rot. Bonds6

About N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide

N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide (PubChem CID 8837263) has the molecular formula C18H17F2NO2S and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide
PubChem CID8837263
Molecular FormulaC18H17F2NO2S
Molecular Weight349.40 g/mol
Exact Mass349.09
IUPAC NameN-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2NO2S/c1-11(2)18(23)21-14-6-3-12(4-7-14)16(22)10-24-17-8-5-13(19)9-15(17)20/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyYJEYYLITVNFBRF-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone
CID 43226491
1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 55393499
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
CID 7489443
2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18122585
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-(2,4-difluorophenyl)sulfanylacetate
CID 7129456
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide (CID 8837263) is N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide?
The InChIKey is YJEYYLITVNFBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2S/c1-11(2)18(23)21-14-6-3-12(4-7-14)16(22)10-24-17-8-5-13(19)9-15(17)20/h3-9,11H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide?
N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide has a molecular weight of 349.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 8837263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).