4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide

C19H22N2O5S — CID 55641527

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-26-16-8-6-15(7-9-16)18(22)10-11-19(23)21-13-14-4-3-5-17(12-14)27(20,24)25/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyDMEVMBILNCFRHR-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.01
Rot. Bonds9

About 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide

4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide (PubChem CID 55641527) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide
PubChem CID55641527
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-26-16-8-6-15(7-9-16)18(22)10-11-19(23)21-13-14-4-3-5-17(12-14)27(20,24)25/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyDMEVMBILNCFRHR-UHFFFAOYSA-N
XLogP2.01
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide
CID 32636101
3-[[[4-(4-ethoxyphenoxy)phenyl]sulfonylamino]methyl]benzenesulfonamide
CID 55681739
4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 55396046
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 52681070
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42981383

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide (CID 55641527) is 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide is CCOc1ccc(C(=O)CCC(=O)NCc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide?
The InChIKey is DMEVMBILNCFRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-26-16-8-6-15(7-9-16)18(22)10-11-19(23)21-13-14-4-3-5-17(12-14)27(20,24)25/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)(H2,20,24,25).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide has a molecular weight of 390.46 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N-[(3-sulfamoylphenyl)methyl]butanamide is sourced from PubChem (CID 55641527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).