N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide

C13H18N2O4S — CID 102610643

IUPACN-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
SMILESCCOC1CC(NC(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H18N2O4S/c1-2-19-11-7-10(8-11)15-13(16)9-3-5-12(6-4-9)20(14,17)18/h3-6,10-11H,2,7-8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKMJGDVKZJPIOPM-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.63
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide

N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide (PubChem CID 102610643) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
PubChem CID102610643
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
SMILESCCOC1CC(NC(=O)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C13H18N2O4S/c1-2-19-11-7-10(8-11)15-13(16)9-3-5-12(6-4-9)20(14,17)18/h3-6,10-11H,2,7-8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKMJGDVKZJPIOPM-UHFFFAOYSA-N
XLogP0.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxycyclobutyl)-4-iodobenzamide
CID 102610594
4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
CID 102673953
4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
2-(3-ethoxycyclobutyl)-N-(4-sulfamoylphenyl)acetamide
CID 103164408
4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide
CID 39826173
N-ethyl-4-sulfamoylbenzamide
CID 10242881
3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
CID 102609465
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
CID 104600932
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide (CID 102610643) is N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide is CCOC1CC(NC(=O)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide?
The InChIKey is KMJGDVKZJPIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-19-11-7-10(8-11)15-13(16)9-3-5-12(6-4-9)20(14,17)18/h3-6,10-11H,2,7-8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide?
N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide has a molecular weight of 298.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 102610643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).