N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide

C19H23NO6S — CID 31618396

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C19H23NO6S/c1-3-27(23,24)16-10-11-18(21)17(13-16)20-19(22)5-4-12-26-15-8-6-14(25-2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H,20,22)
InChIKeyULBVRLMCQYLDNA-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.99
Rot. Bonds9

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 31618396) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide
PubChem CID31618396
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C19H23NO6S/c1-3-27(23,24)16-10-11-18(21)17(13-16)20-19(22)5-4-12-26-15-8-6-14(25-2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H,20,22)
InChIKeyULBVRLMCQYLDNA-UHFFFAOYSA-N
XLogP2.99
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 21184626
4-(4-chloro-2-methylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide
CID 35978441
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
CID 51108082
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273318
methyl 3-hydroxy-4-[4-(4-methoxyphenoxy)butanoylamino]benzoate
CID 108767226
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
4-(4-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 38000923
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552041
4-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]benzoic acid
CID 108753974
4-(4-acetyl-2-methoxyphenoxy)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide
CID 55791807

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide (CID 31618396) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(OC)cc2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is ULBVRLMCQYLDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-3-27(23,24)16-10-11-18(21)17(13-16)20-19(22)5-4-12-26-15-8-6-14(25-2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H,20,22).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide has a molecular weight of 393.46 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 31618396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).