3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide

C16H18N2O4S — CID 17421800

IUPAC3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H18N2O4S/c1-18(22-2)16(19)14-9-6-10-15(11-14)23(20,21)17-12-13-7-4-3-5-8-13/h3-11,17H,12H2,1-2H3
InChIKeyGMTRDMPJTXOUER-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.80
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide

3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide (PubChem CID 17421800) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
PubChem CID17421800
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H18N2O4S/c1-18(22-2)16(19)14-9-6-10-15(11-14)23(20,21)17-12-13-7-4-3-5-8-13/h3-11,17H,12H2,1-2H3
InChIKeyGMTRDMPJTXOUER-UHFFFAOYSA-N
XLogP1.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.80
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

2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
N-benzyl-3-[[(3-methoxy-4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26587155
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide (CID 17421800) is 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide?
The InChIKey is GMTRDMPJTXOUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-18(22-2)16(19)14-9-6-10-15(11-14)23(20,21)17-12-13-7-4-3-5-8-13/h3-11,17H,12H2,1-2H3.
What are the key properties of 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide?
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 17421800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).