N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide

C18H20FNO2S — CID 91554594

IUPACN-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
SMILESCC(CCC(=O)NCc1ccccc1F)Sc1ccc(O)cc1
InChIInChI=1S/C18H20FNO2S/c1-13(23-16-9-7-15(21)8-10-16)6-11-18(22)20-12-14-4-2-3-5-17(14)19/h2-5,7-10,13,21H,6,11-12H2,1H3,(H,20,22)
InChIKeyYSRFBGPRXCSABT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.11
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide

N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide (PubChem CID 91554594) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
PubChem CID91554594
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
SMILESCC(CCC(=O)NCc1ccccc1F)Sc1ccc(O)cc1
InChIInChI=1S/C18H20FNO2S/c1-13(23-16-9-7-15(21)8-10-16)6-11-18(22)20-12-14-4-2-3-5-17(14)19/h2-5,7-10,13,21H,6,11-12H2,1H3,(H,20,22)
InChIKeyYSRFBGPRXCSABT-UHFFFAOYSA-N
XLogP4.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide (CID 91554594) is N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide is CC(CCC(=O)NCc1ccccc1F)Sc1ccc(O)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The InChIKey is YSRFBGPRXCSABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13(23-16-9-7-15(21)8-10-16)6-11-18(22)20-12-14-4-2-3-5-17(14)19/h2-5,7-10,13,21H,6,11-12H2,1H3,(H,20,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide has a molecular weight of 333.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide is sourced from PubChem (CID 91554594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).