2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide

C18H18FNO2S — CID 95983111

IUPAC2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NC[C@@]1(O)CCc2ccccc21
InChIInChI=1S/C18H18FNO2S/c19-14-5-7-15(8-6-14)23-11-17(21)20-12-18(22)10-9-13-3-1-2-4-16(13)18/h1-8,22H,9-12H2,(H,20,21)/t18-/m0/s1
InChIKeyGOABYPRUFWQHPY-SFHVURJKSA-N
MW331.41 g/mol
LogP2.87
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide (PubChem CID 95983111) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide
PubChem CID95983111
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NC[C@@]1(O)CCc2ccccc21
InChIInChI=1S/C18H18FNO2S/c19-14-5-7-15(8-6-14)23-11-17(21)20-12-18(22)10-9-13-3-1-2-4-16(13)18/h1-8,22H,9-12H2,(H,20,21)/t18-/m0/s1
InChIKeyGOABYPRUFWQHPY-SFHVURJKSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide (CID 95983111) is 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide is O=C(CSc1ccc(F)cc1)NC[C@@]1(O)CCc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide?
The InChIKey is GOABYPRUFWQHPY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-14-5-7-15(8-6-14)23-11-17(21)20-12-18(22)10-9-13-3-1-2-4-16(13)18/h1-8,22H,9-12H2,(H,20,21)/t18-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide has a molecular weight of 331.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]acetamide is sourced from PubChem (CID 95983111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).