N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide

C17H17N3O4S — CID 3415462

IUPACN-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(N(C#N)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H17N3O4S/c1-3-24-16-8-6-15(7-9-16)20(12-18)25(22,23)17-10-4-14(5-11-17)19-13(2)21/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyFXBYEZNEDVRKIZ-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.72
Rot. Bonds6

About N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide

N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 3415462) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID3415462
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(N(C#N)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H17N3O4S/c1-3-24-16-8-6-15(7-9-16)20(12-18)25(22,23)17-10-4-14(5-11-17)19-13(2)21/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyFXBYEZNEDVRKIZ-UHFFFAOYSA-N
XLogP2.72
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide
CID 100501598
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50889690
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide
CID 50889711
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene
CID 154880193

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide (CID 3415462) is N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide is CCOc1ccc(N(C#N)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is FXBYEZNEDVRKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-24-16-8-6-15(7-9-16)20(12-18)25(22,23)17-10-4-14(5-11-17)19-13(2)21/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano-(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3415462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).