N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide

C19H23NO5S — CID 1112404

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1
InChIInChI=1S/C19H23NO5S/c1-3-5-14-6-8-15(9-7-14)25-13-19(22)20-17-12-16(10-11-18(17)21)26(23,24)4-2/h6-12,21H,3-5,13H2,1-2H3,(H,20,22)
InChIKeyBHSDFNVOXBDUAC-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.16
Rot. Bonds8

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide (PubChem CID 1112404) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide
PubChem CID1112404
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1
InChIInChI=1S/C19H23NO5S/c1-3-5-14-6-8-15(9-7-14)25-13-19(22)20-17-12-16(10-11-18(17)21)26(23,24)4-2/h6-12,21H,3-5,13H2,1-2H3,(H,20,22)
InChIKeyBHSDFNVOXBDUAC-UHFFFAOYSA-N
XLogP3.16
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-3-phenyl-acrylamide
CID 732138
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N-(2-ethoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3360803
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1194335
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-phenoxyacetamide
CID 680610
N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-2-p-tolyloxy-acetamide
CID 692180
2-(4-ethylphenoxy)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]acetamide
CID 1190076
3-benzylsulfonyl-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 2973048
N-(3,4-Dimethylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-YL)sulfonyl]butanamide
CID 16021342
N-methyl-N-(4-methylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
CID 16021360
N-(2,3-Dimethylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-YL)sulfonyl]butanamide
CID 20909834
N-(4-methoxybenzyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
CID 20909842

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide (CID 1112404) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide?
The InChIKey is BHSDFNVOXBDUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-3-5-14-6-8-15(9-7-14)25-13-19(22)20-17-12-16(10-11-18(17)21)26(23,24)4-2/h6-12,21H,3-5,13H2,1-2H3,(H,20,22).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide has a molecular weight of 377.46 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 1112404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).