2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide

C13H20N2O4S — CID 65388845

IUPAC2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-4-9(2)8-15-13(16)11-7-10(20(14,17)18)5-6-12(11)19-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyJNORUTKQQVYXLE-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.12
Rot. Bonds6

About 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide

2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide (PubChem CID 65388845) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
PubChem CID65388845
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-4-9(2)8-15-13(16)11-7-10(20(14,17)18)5-6-12(11)19-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyJNORUTKQQVYXLE-UHFFFAOYSA-N
XLogP1.12
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide 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-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 115591271
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
CID 38280263
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25494157
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 51164410

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide (CID 65388845) is 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide is CCC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The InChIKey is JNORUTKQQVYXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-9(2)8-15-13(16)11-7-10(20(14,17)18)5-6-12(11)19-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide?
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65388845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).