N,N-diethyl-4-(methoxysulfamoyl)benzamide

C12H18N2O4S — CID 47051185

IUPACN,N-diethyl-4-(methoxysulfamoyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NOC)cc1
InChIInChI=1S/C12H18N2O4S/c1-4-14(5-2)12(15)10-6-8-11(9-7-10)19(16,17)13-18-3/h6-9,13H,4-5H2,1-3H3
InChIKeySJPTUUDFRRVKRA-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.01
Rot. Bonds6

About N,N-diethyl-4-(methoxysulfamoyl)benzamide

N,N-diethyl-4-(methoxysulfamoyl)benzamide (PubChem CID 47051185) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N,N-diethyl-4-(methoxysulfamoyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(methoxysulfamoyl)benzamide
PubChem CID47051185
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN,N-diethyl-4-(methoxysulfamoyl)benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NOC)cc1
InChIInChI=1S/C12H18N2O4S/c1-4-14(5-2)12(15)10-6-8-11(9-7-10)19(16,17)13-18-3/h6-9,13H,4-5H2,1-3H3
InChIKeySJPTUUDFRRVKRA-UHFFFAOYSA-N
XLogP1.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512067
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
CID 95341841
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
CID 119960282
N,N-diethyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 47946585
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423
N-[2-(4-chlorophenoxy)ethyl]-4-(methoxysulfamoyl)-N-methylbenzamide
CID 55834326

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(methoxysulfamoyl)benzamide?
The IUPAC name of N,N-diethyl-4-(methoxysulfamoyl)benzamide (CID 47051185) is N,N-diethyl-4-(methoxysulfamoyl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(methoxysulfamoyl)benzamide?
The canonical SMILES for N,N-diethyl-4-(methoxysulfamoyl)benzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)NOC)cc1.
What is the InChIKey of N,N-diethyl-4-(methoxysulfamoyl)benzamide?
The InChIKey is SJPTUUDFRRVKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-14(5-2)12(15)10-6-8-11(9-7-10)19(16,17)13-18-3/h6-9,13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(methoxysulfamoyl)benzamide?
N,N-diethyl-4-(methoxysulfamoyl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(methoxysulfamoyl)benzamide is sourced from PubChem (CID 47051185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).