3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide

C18H23N3O6S2 — CID 55570733

IUPAC3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C18H23N3O6S2/c1-13(14-5-3-7-16(11-14)28(19,23)24)21-18(22)15-6-4-8-17(12-15)29(25,26)20-9-10-27-2/h3-8,11-13,20H,9-10H2,1-2H3,(H,21,22)(H2,19,23,24)
InChIKeyAJJZDTDZCVZEDD-UHFFFAOYSA-N
MW441.53 g/mol
LogP0.75
Rot. Bonds9

About 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide

3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (PubChem CID 55570733) has the molecular formula C18H23N3O6S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
PubChem CID55570733
Molecular FormulaC18H23N3O6S2
Molecular Weight441.53 g/mol
Exact Mass441.10
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C18H23N3O6S2/c1-13(14-5-3-7-16(11-14)28(19,23)24)21-18(22)15-6-4-8-17(12-15)29(25,26)20-9-10-27-2/h3-8,11-13,20H,9-10H2,1-2H3,(H,21,22)(H2,19,23,24)
InChIKeyAJJZDTDZCVZEDD-UHFFFAOYSA-N
XLogP0.75
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045491
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
3-(2-methoxyethylsulfamoyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 134045498
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 43005612
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (CID 55570733) is 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is AJJZDTDZCVZEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S2/c1-13(14-5-3-7-16(11-14)28(19,23)24)21-18(22)15-6-4-8-17(12-15)29(25,26)20-9-10-27-2/h3-8,11-13,20H,9-10H2,1-2H3,(H,21,22)(H2,19,23,24).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 0.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 55570733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).