4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide

C13H20N2O5S — CID 102701176

IUPAC4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide
SMILESCCOc1ccc(C(=O)NCC(C)OC)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O5S/c1-4-20-11-6-5-10(7-12(11)21(14,17)18)13(16)15-8-9(2)19-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyAHRWQDBGWJIKJJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.50
Rot. Bonds7

About 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide

4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide (PubChem CID 102701176) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide
PubChem CID102701176
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide
SMILESCCOc1ccc(C(=O)NCC(C)OC)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O5S/c1-4-20-11-6-5-10(7-12(11)21(14,17)18)13(16)15-8-9(2)19-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyAHRWQDBGWJIKJJ-UHFFFAOYSA-N
XLogP0.50
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65374609
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
tert-butyl 4-ethoxy-3-sulfamoylbenzoate
CID 65380420
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide
CID 65379984
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
4-(ethylamino)-N-(2-methoxypropyl)benzamide
CID 102700595
N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
CID 65373100

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide (CID 102701176) is 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide is CCOc1ccc(C(=O)NCC(C)OC)cc1S(N)(=O)=O.
What is the InChIKey of 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide?
The InChIKey is AHRWQDBGWJIKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-4-20-11-6-5-10(7-12(11)21(14,17)18)13(16)15-8-9(2)19-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide?
4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide has a molecular weight of 316.38 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methoxypropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 102701176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).