N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide

C14H21N3O4S — CID 108520263

IUPACN-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCCCCCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O4S/c1-2-3-4-9-16-13(18)14(19)17-10-11-5-7-12(8-6-11)22(15,20)21/h5-8H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)(H2,15,20,21)
InChIKeyMZRQCFLZQVXCLS-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.26
Rot. Bonds7

About N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide

N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide (PubChem CID 108520263) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
PubChem CID108520263
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCCCCCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O4S/c1-2-3-4-9-16-13(18)14(19)17-10-11-5-7-12(8-6-11)22(15,20)21/h5-8H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)(H2,15,20,21)
InChIKeyMZRQCFLZQVXCLS-UHFFFAOYSA-N
XLogP0.26
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-docosyl-N'-[(4-hydroxyphenyl)methyl]oxamide
CID 19597122
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207
1-decyl-3-(4-sulfamoylphenyl)thiourea
CID 19651236
N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
2-methyl-1-nonyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111385944

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The IUPAC name of N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide (CID 108520263) is N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide.
What is the SMILES notation for N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The canonical SMILES for N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide is CCCCCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The InChIKey is MZRQCFLZQVXCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-2-3-4-9-16-13(18)14(19)17-10-11-5-7-12(8-6-11)22(15,20)21/h5-8H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)(H2,15,20,21).
What are the key properties of N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide?
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide has a molecular weight of 327.41 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide is sourced from PubChem (CID 108520263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).