3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide

C19H24N2O5S — CID 24983143

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C19H24N2O5S/c1-2-25-17-8-10-18(11-9-17)27(23,24)21-13-12-19(22)20-14-15-26-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3,(H,20,22)
InChIKeyVBMFQKHXWUWHBJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.95
Rot. Bonds11

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide (PubChem CID 24983143) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
PubChem CID24983143
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C19H24N2O5S/c1-2-25-17-8-10-18(11-9-17)27(23,24)21-13-12-19(22)20-14-15-26-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3,(H,20,22)
InChIKeyVBMFQKHXWUWHBJ-UHFFFAOYSA-N
XLogP1.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
3-fluoro-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 6471347
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
N,N-diethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919367
3-[4-(2-Butynyloxy)phenylsulfonylamino]propanehydroximic acid
CID 9926779
3-[(4-But-2-ynyloxy-benzenesulfonyl)-methyl-amino]-N-hydroxy-propionamide
CID 9927353
3-[(4-Phenoxyphenyl)sulfonylamino]propylcarbamoylphosphonic acid
CID 46866645

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide (CID 24983143) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide?
The InChIKey is VBMFQKHXWUWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-2-25-17-8-10-18(11-9-17)27(23,24)21-13-12-19(22)20-14-15-26-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3,(H,20,22).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 1.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 24983143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).