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

C20H25NO3S — CID 91267866

IUPACN-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
SMILESCCOc1ccccc1CNC(=O)CCC(C)Sc1ccc(O)cc1
InChIInChI=1S/C20H25NO3S/c1-3-24-19-7-5-4-6-16(19)14-21-20(23)13-8-15(2)25-18-11-9-17(22)10-12-18/h4-7,9-12,15,22H,3,8,13-14H2,1-2H3,(H,21,23)
InChIKeyJZUBCZDWQGOSJE-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.37
Rot. Bonds9

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

N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide (PubChem CID 91267866) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
PubChem CID91267866
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
SMILESCCOc1ccccc1CNC(=O)CCC(C)Sc1ccc(O)cc1
InChIInChI=1S/C20H25NO3S/c1-3-24-19-7-5-4-6-16(19)14-21-20(23)13-8-15(2)25-18-11-9-17(22)10-12-18/h4-7,9-12,15,22H,3,8,13-14H2,1-2H3,(H,21,23)
InChIKeyJZUBCZDWQGOSJE-UHFFFAOYSA-N
XLogP4.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 91042386
4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
CID 91466295
N-[(2,6-dichlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
CID 91427610
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92676037
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide
CID 90687889
5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide
CID 91038269

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide (CID 91267866) is N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide is CCOc1ccccc1CNC(=O)CCC(C)Sc1ccc(O)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
The InChIKey is JZUBCZDWQGOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-3-24-19-7-5-4-6-16(19)14-21-20(23)13-8-15(2)25-18-11-9-17(22)10-12-18/h4-7,9-12,15,22H,3,8,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide?
N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide has a molecular weight of 359.49 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide is sourced from PubChem (CID 91267866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).