N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide

C16H18N4O4S — CID 108508692

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide
SMILESNCc1cccc(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N4O4S/c17-9-11-2-1-3-12(8-11)10-19-15(21)16(22)20-13-4-6-14(7-5-13)25(18,23)24/h1-8H,9-10,17H2,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyCBSQDDVQRLUKHK-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.05
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide (PubChem CID 108508692) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide
PubChem CID108508692
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide
SMILESNCc1cccc(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H18N4O4S/c17-9-11-2-1-3-12(8-11)10-19-15(21)16(22)20-13-4-6-14(7-5-13)25(18,23)24/h1-8H,9-10,17H2,(H,19,21)(H,20,22)(H2,18,23,24)
InChIKeyCBSQDDVQRLUKHK-UHFFFAOYSA-N
XLogP0.05
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
CID 108514930
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
N'-(4-bromo-3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520369
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011
N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 108518949
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide (CID 108508692) is N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide is NCc1cccc(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide?
The InChIKey is CBSQDDVQRLUKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c17-9-11-2-1-3-12(8-11)10-19-15(21)16(22)20-13-4-6-14(7-5-13)25(18,23)24/h1-8H,9-10,17H2,(H,19,21)(H,20,22)(H2,18,23,24).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide has a molecular weight of 362.41 g/mol, XLogP of 0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).