N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

C18H20N4O5S — CID 108526549

IUPACN'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESCC(=O)N(C(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(N)c1
InChIInChI=1S/C18H20N4O5S/c1-12(23)22(15-4-2-3-14(19)11-15)18(25)17(24)21-10-9-13-5-7-16(8-6-13)28(20,26)27/h2-8,11H,9-10,19H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyZFYSUEHRHPJLPC-UHFFFAOYSA-N
MW404.45 g/mol
LogP0.15
Rot. Bonds5

About N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 108526549) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID108526549
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESCC(=O)N(C(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(N)c1
InChIInChI=1S/C18H20N4O5S/c1-12(23)22(15-4-2-3-14(19)11-15)18(25)17(24)21-10-9-13-5-7-16(8-6-13)28(20,26)27/h2-8,11H,9-10,19H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyZFYSUEHRHPJLPC-UHFFFAOYSA-N
XLogP0.15
TPSA152.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108509374
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 7943075
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235
1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 748226
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 108526549) is N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is CC(=O)N(C(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is ZFYSUEHRHPJLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-12(23)22(15-4-2-3-14(19)11-15)18(25)17(24)21-10-9-13-5-7-16(8-6-13)28(20,26)27/h2-8,11H,9-10,19H2,1H3,(H,21,24)(H2,20,26,27).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 404.45 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 108526549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).