N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide

C13H20N2O4S — CID 115590077

IUPACN-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
SMILESCC(C)COCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(2)9-19-8-7-15-13(16)11-3-5-12(6-4-11)20(14,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyJBSVINIJWBGDEH-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.74
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide

N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide (PubChem CID 115590077) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
PubChem CID115590077
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
SMILESCC(C)COCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(2)9-19-8-7-15-13(16)11-3-5-12(6-4-11)20(14,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyJBSVINIJWBGDEH-UHFFFAOYSA-N
XLogP0.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595
N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide
CID 2150
N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
CID 103606594
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-ethyl-4-sulfamoylbenzamide
CID 10242881
4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
CID 32647614
N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383
4-[2-(2-methylpropoxy)ethylsulfamoyl]benzoic acid
CID 115588284
N-[2-(2-methoxyethoxy)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55685287

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide (CID 115590077) is N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide is CC(C)COCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide?
The InChIKey is JBSVINIJWBGDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)9-19-8-7-15-13(16)11-3-5-12(6-4-11)20(14,17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide?
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 115590077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).