N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

C18H21N3O4S — CID 108984696

IUPACN'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13-3-2-4-15(11-13)12-21-18(23)17(22)20-10-9-14-5-7-16(8-6-14)26(19,24)25/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyNCFGGEKBGAJJEU-UHFFFAOYSA-N
MW375.45 g/mol
LogP0.62
Rot. Bonds6

About N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 108984696) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID108984696
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESCc1cccc(CNC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H21N3O4S/c1-13-3-2-4-15(11-13)12-21-18(23)17(22)20-10-9-14-5-7-16(8-6-14)26(19,24)25/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyNCFGGEKBGAJJEU-UHFFFAOYSA-N
XLogP0.62
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
2-methyl-1-[(3-methylphenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111899600
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108509374
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 110790716

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 108984696) is N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is Cc1cccc(CNC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is NCFGGEKBGAJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-3-2-4-15(11-13)12-21-18(23)17(22)20-10-9-14-5-7-16(8-6-14)26(19,24)25/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 375.45 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 108984696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).