2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide

C18H20N2O5S — CID 2435086

IUPAC2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-17(21)14-5-7-15(8-6-14)25-12-18(22)20-11-13-3-9-16(10-4-13)26(19,23)24/h3-10H,2,11-12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyYETNUESJSHOGAK-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.62
Rot. Bonds8

About 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 2435086) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID2435086
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-17(21)14-5-7-15(8-6-14)25-12-18(22)20-11-13-3-9-16(10-4-13)26(19,23)24/h3-10H,2,11-12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyYETNUESJSHOGAK-UHFFFAOYSA-N
XLogP1.62
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 26447428
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42981383
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855139
4-propanoylbenzenesulfonamide
CID 70209431
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-(3-methylbutoxy)benzoate
CID 42981381
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42981356
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 2435086) is 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide is CCC(=O)c1ccc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is YETNUESJSHOGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-17(21)14-5-7-15(8-6-14)25-12-18(22)20-11-13-3-9-16(10-4-13)26(19,23)24/h3-10H,2,11-12H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 376.43 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 2435086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).