4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide

C19H23NO2S — CID 90766345

IUPAC4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide
SMILESCC(CCC(=O)NC(C)c1ccccc1)Sc1ccc(O)cc1
InChIInChI=1S/C19H23NO2S/c1-14(23-18-11-9-17(21)10-12-18)8-13-19(22)20-15(2)16-6-4-3-5-7-16/h3-7,9-12,14-15,21H,8,13H2,1-2H3,(H,20,22)
InChIKeyXAFIYPSDDZIOHX-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.53
Rot. Bonds7

About 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide

4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide (PubChem CID 90766345) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide
PubChem CID90766345
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide
SMILESCC(CCC(=O)NC(C)c1ccccc1)Sc1ccc(O)cc1
InChIInChI=1S/C19H23NO2S/c1-14(23-18-11-9-17(21)10-12-18)8-13-19(22)20-15(2)16-6-4-3-5-7-16/h3-7,9-12,14-15,21H,8,13H2,1-2H3,(H,20,22)
InChIKeyXAFIYPSDDZIOHX-UHFFFAOYSA-N
XLogP4.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
S-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl] ethanethioate
CID 54240548
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 8573456
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide (CID 90766345) is 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide is CC(CCC(=O)NC(C)c1ccccc1)Sc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide?
The InChIKey is XAFIYPSDDZIOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(23-18-11-9-17(21)10-12-18)8-13-19(22)20-15(2)16-6-4-3-5-7-16/h3-7,9-12,14-15,21H,8,13H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide?
4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide has a molecular weight of 329.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide is sourced from PubChem (CID 90766345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).