N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide

C18H21N3O4S — CID 108520362

IUPACN'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCCN(C(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccc(C)c1
InChIInChI=1S/C18H21N3O4S/c1-3-21(15-6-4-5-13(2)11-15)18(23)17(22)20-12-14-7-9-16(10-8-14)26(19,24)25/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,24,25)
InChIKeyBJXJKOVUDTUDHP-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.31
Rot. Bonds5

About N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide

N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide (PubChem CID 108520362) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
PubChem CID108520362
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCCN(C(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccc(C)c1
InChIInChI=1S/C18H21N3O4S/c1-3-21(15-6-4-5-13(2)11-15)18(23)17(22)20-12-14-7-9-16(10-8-14)26(19,24)25/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,24,25)
InChIKeyBJXJKOVUDTUDHP-UHFFFAOYSA-N
XLogP1.31
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520359
2-methyl-1-[(3-methylphenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111899600
1-ethyl-3-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 111330436

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide (CID 108520362) is N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide is CCN(C(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide?
The InChIKey is BJXJKOVUDTUDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-3-21(15-6-4-5-13(2)11-15)18(23)17(22)20-12-14-7-9-16(10-8-14)26(19,24)25/h4-11H,3,12H2,1-2H3,(H,20,22)(H2,19,24,25).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide?
N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide has a molecular weight of 375.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide is sourced from PubChem (CID 108520362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).