N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide

C18H19Cl2NO2S — CID 91427610

IUPACN-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
SMILESCC(CCC(=O)NCc1c(Cl)cccc1Cl)Sc1ccc(O)cc1
InChIInChI=1S/C18H19Cl2NO2S/c1-12(24-14-8-6-13(22)7-9-14)5-10-18(23)21-11-15-16(19)3-2-4-17(15)20/h2-4,6-9,12,22H,5,10-11H2,1H3,(H,21,23)
InChIKeyPZGRXLWVMLQNKE-UHFFFAOYSA-N
MW384.33 g/mol
LogP5.28
Rot. Bonds7

About N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide

N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide (PubChem CID 91427610) has the molecular formula C18H19Cl2NO2S and a molecular weight of 384.33 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
PubChem CID91427610
Molecular FormulaC18H19Cl2NO2S
Molecular Weight384.33 g/mol
Exact Mass383.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
SMILESCC(CCC(=O)NCc1c(Cl)cccc1Cl)Sc1ccc(O)cc1
InChIInChI=1S/C18H19Cl2NO2S/c1-12(24-14-8-6-13(22)7-9-14)5-10-18(23)21-11-15-16(19)3-2-4-17(15)20/h2-4,6-9,12,22H,5,10-11H2,1H3,(H,21,23)
InChIKeyPZGRXLWVMLQNKE-UHFFFAOYSA-N
XLogP5.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.33
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
CID 91267866
4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 91042386
4-(4-hydroxyphenyl)sulfanyl-N-(1-phenylethyl)pentanamide
CID 90766345
4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
CID 91466295
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
4-(4-chlorophenyl)sulfanylpentanoic acid
CID 62213263
N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide
CID 90882697
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide
CID 90687889
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide (CID 91427610) is N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide is CC(CCC(=O)NCc1c(Cl)cccc1Cl)Sc1ccc(O)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The InChIKey is PZGRXLWVMLQNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2S/c1-12(24-14-8-6-13(22)7-9-14)5-10-18(23)21-11-15-16(19)3-2-4-17(15)20/h2-4,6-9,12,22H,5,10-11H2,1H3,(H,21,23).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide has a molecular weight of 384.33 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide is sourced from PubChem (CID 91427610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).