2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide

C18H22N2O5S — CID 108571600

IUPAC2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C(C)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-3-9-17(10-4-13)26(23,24)20-12-11-19-18(22)14(2)25-16-7-5-15(21)6-8-16/h3-10,14,20-21H,11-12H2,1-2H3,(H,19,22)
InChIKeyWOBTVEQHDAGPJG-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.56
Rot. Bonds8

About 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide

2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 108571600) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID108571600
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C(C)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-3-9-17(10-4-13)26(23,24)20-12-11-19-18(22)14(2)25-16-7-5-15(21)6-8-16/h3-10,14,20-21H,11-12H2,1-2H3,(H,19,22)
InChIKeyWOBTVEQHDAGPJG-UHFFFAOYSA-N
XLogP1.56
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108572703
(2R)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-prop-2-enoxypropanamide
CID 94782590
2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide
CID 108539914
2-(4-methylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 2980531
2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 55353301
2,4-dihydroxy-3,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide
CID 572222
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
CID 78852521
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide (CID 108571600) is 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)C(C)Oc2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is WOBTVEQHDAGPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-3-9-17(10-4-13)26(23,24)20-12-11-19-18(22)14(2)25-16-7-5-15(21)6-8-16/h3-10,14,20-21H,11-12H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide?
2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 108571600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).