N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide

C18H16FNO3S — CID 167803197

IUPACN-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
SMILESCC(O)(CSc1cccc(F)c1)C(=O)Nc1cccc2occc12
InChIInChI=1S/C18H16FNO3S/c1-18(22,11-24-13-5-2-4-12(19)10-13)17(21)20-15-6-3-7-16-14(15)8-9-23-16/h2-10,22H,11H2,1H3,(H,20,21)
InChIKeyIZHUIZFWCPXKIZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.05
Rot. Bonds5

About N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide

N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide (PubChem CID 167803197) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
PubChem CID167803197
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC NameN-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
SMILESCC(O)(CSc1cccc(F)c1)C(=O)Nc1cccc2occc12
InChIInChI=1S/C18H16FNO3S/c1-18(22,11-24-13-5-2-4-12(19)10-13)17(21)20-15-6-3-7-16-14(15)8-9-23-16/h2-10,22H,11H2,1H3,(H,20,21)
InChIKeyIZHUIZFWCPXKIZ-UHFFFAOYSA-N
XLogP4.05
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[(1,3,3-trimethylpiperidin-2-yl)methyl]propanamide
CID 167942863
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
CID 166360544
2-hydroxy-2-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 155564875
N-[2-(hydroxymethyl)-1-benzofuran-4-yl]-2,2-dimethylpropanamide
CID 21082664
1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-one
CID 66072466
4-(3-fluorophenyl)-1-benzofuran
CID 10751013
(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide
CID 164683364
1-(3-fluorophenyl)sulfanyloctan-2-one
CID 66071013
3-(1-benzofuran-4-yl)-2,2-dimethylpropanoic acid
CID 117310807
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 14064775
1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone
CID 114725527

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide (CID 167803197) is N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide is CC(O)(CSc1cccc(F)c1)C(=O)Nc1cccc2occc12.
What is the InChIKey of N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide?
The InChIKey is IZHUIZFWCPXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-18(22,11-24-13-5-2-4-12(19)10-13)17(21)20-15-6-3-7-16-14(15)8-9-23-16/h2-10,22H,11H2,1H3,(H,20,21).
What are the key properties of N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide?
N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide has a molecular weight of 345.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-4-yl)-3-(3-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 167803197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).