N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide

C12H16N4O5S — CID 108508777

IUPACN-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCNC=O)cc1
InChIInChI=1S/C12H16N4O5S/c13-22(20,21)10-4-2-9(3-5-10)16-12(19)11(18)15-7-1-6-14-8-17/h2-5,8H,1,6-7H2,(H,14,17)(H,15,18)(H,16,19)(H2,13,20,21)
InChIKeyFQSDGVJXEBXMCR-UHFFFAOYSA-N
MW328.35 g/mol
LogP-1.48
Rot. Bonds7

About N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide

N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide (PubChem CID 108508777) has the molecular formula C12H16N4O5S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide
PubChem CID108508777
Molecular FormulaC12H16N4O5S
Molecular Weight328.35 g/mol
Exact Mass328.08
IUPAC NameN-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCNC=O)cc1
InChIInChI=1S/C12H16N4O5S/c13-22(20,21)10-4-2-9(3-5-10)16-12(19)11(18)15-7-1-6-14-8-17/h2-5,8H,1,6-7H2,(H,14,17)(H,15,18)(H,16,19)(H2,13,20,21)
InChIKeyFQSDGVJXEBXMCR-UHFFFAOYSA-N
XLogP-1.48
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
1-(2-oxoethyl)-3-(4-sulfamoylphenyl)urea
CID 146027008
4-[(4-sulfamoylphenyl)carbamothioylamino]butanoic acid
CID 10495711
1-decyl-3-(4-sulfamoylphenyl)thiourea
CID 19651236
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
CID 108869282
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
2-methylidene-5-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 90311544
N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508692
tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide (CID 108508777) is N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide is NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCNC=O)cc1.
What is the InChIKey of N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide?
The InChIKey is FQSDGVJXEBXMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5S/c13-22(20,21)10-4-2-9(3-5-10)16-12(19)11(18)15-7-1-6-14-8-17/h2-5,8H,1,6-7H2,(H,14,17)(H,15,18)(H,16,19)(H2,13,20,21).
What are the key properties of N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide?
N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide has a molecular weight of 328.35 g/mol, XLogP of -1.48, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-N'-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).