N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide

C16H27N3O4S — CID 120717557

IUPACN,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1
InChIInChI=1S/C16H27N3O4S/c1-4-19(5-2)16(20)14-6-8-15(9-7-14)24(21,22)18-11-10-17-12-13-23-3/h6-9,17-18H,4-5,10-13H2,1-3H3
InChIKeyMLQNBHXTYPBOQY-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.68
Rot. Bonds11

About N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide

N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide (PubChem CID 120717557) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
PubChem CID120717557
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1
InChIInChI=1S/C16H27N3O4S/c1-4-19(5-2)16(20)14-6-8-15(9-7-14)24(21,22)18-11-10-17-12-13-23-3/h6-9,17-18H,4-5,10-13H2,1-3H3
InChIKeyMLQNBHXTYPBOQY-UHFFFAOYSA-N
XLogP0.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.68
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

4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
CID 119960282
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
N,N-diethyl-4-(methoxysulfamoyl)benzamide
CID 47051185
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 38045289

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide?
The IUPAC name of N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide (CID 120717557) is N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)NCCNCCOC)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide?
The InChIKey is MLQNBHXTYPBOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-4-19(5-2)16(20)14-6-8-15(9-7-14)24(21,22)18-11-10-17-12-13-23-3/h6-9,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide?
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 0.68, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide is sourced from PubChem (CID 120717557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).