N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide

C18H22N4O4S — CID 108508799

IUPACN-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N4O4S/c1-3-22(4-2)15-9-5-13(6-10-15)20-17(23)18(24)21-14-7-11-16(12-8-14)27(19,25)26/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H2,19,25,26)
InChIKeyJCQYEHFTIMWFBP-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.76
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide

N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide (PubChem CID 108508799) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
PubChem CID108508799
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N4O4S/c1-3-22(4-2)15-9-5-13(6-10-15)20-17(23)18(24)21-14-7-11-16(12-8-14)27(19,25)26/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H2,19,25,26)
InChIKeyJCQYEHFTIMWFBP-UHFFFAOYSA-N
XLogP1.76
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508740
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate
CID 62006834
N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520359
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide (CID 108508799) is N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide?
The InChIKey is JCQYEHFTIMWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-3-22(4-2)15-9-5-13(6-10-15)20-17(23)18(24)21-14-7-11-16(12-8-14)27(19,25)26/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H2,19,25,26).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide?
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide has a molecular weight of 390.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).