3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide

C14H22N2O5S — CID 55565589

IUPAC3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(S(=O)(=O)NCCOC)c1
InChIInChI=1S/C14H22N2O5S/c1-20-9-4-7-15-14(17)12-5-3-6-13(11-12)22(18,19)16-8-10-21-2/h3,5-6,11,16H,4,7-10H2,1-2H3,(H,15,17)
InChIKeyZLYWDCQULCFOBG-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.38
Rot. Bonds10

About 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide

3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide (PubChem CID 55565589) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
PubChem CID55565589
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(S(=O)(=O)NCCOC)c1
InChIInChI=1S/C14H22N2O5S/c1-20-9-4-7-15-14(17)12-5-3-6-13(11-12)22(18,19)16-8-10-21-2/h3,5-6,11,16H,4,7-10H2,1-2H3,(H,15,17)
InChIKeyZLYWDCQULCFOBG-UHFFFAOYSA-N
XLogP0.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide (CID 55565589) is 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(S(=O)(=O)NCCOC)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is ZLYWDCQULCFOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-20-9-4-7-15-14(17)12-5-3-6-13(11-12)22(18,19)16-8-10-21-2/h3,5-6,11,16H,4,7-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide?
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 330.41 g/mol, XLogP of 0.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 55565589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).