4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide

C13H21N3O4S — CID 83036729

IUPAC4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1
InChIInChI=1S/C13H21N3O4S/c1-14-13(17)11-3-5-12(6-4-11)21(18,19)16-8-7-15-9-10-20-2/h3-6,15-16H,7-10H2,1-2H3,(H,14,17)
InChIKeyQCOQTFORDDWGQJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.44
Rot. Bonds9

About 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide

4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide (PubChem CID 83036729) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
PubChem CID83036729
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1
InChIInChI=1S/C13H21N3O4S/c1-14-13(17)11-3-5-12(6-4-11)21(18,19)16-8-7-15-9-10-20-2/h3-6,15-16H,7-10H2,1-2H3,(H,14,17)
InChIKeyQCOQTFORDDWGQJ-UHFFFAOYSA-N
XLogP-0.44
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-[2-(2-methoxyethylamino)ethyl]-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 120717957
4-N-cyclopropyl-1-N-[2-(2-methoxyethylamino)ethyl]benzene-1,4-disulfonamide
CID 120717416
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120717422
4-(cyanomethyl)-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039708
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
4-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-N-methylbenzamide
CID 27302594
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide (CID 83036729) is 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1.
What is the InChIKey of 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide?
The InChIKey is QCOQTFORDDWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-14-13(17)11-3-5-12(6-4-11)21(18,19)16-8-7-15-9-10-20-2/h3-6,15-16H,7-10H2,1-2H3,(H,14,17).
What are the key properties of 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide?
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide has a molecular weight of 315.40 g/mol, XLogP of -0.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 83036729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).