3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide

C14H22N2O4S — CID 51250979

IUPAC3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NC(C)C(C)C)c1
InChIInChI=1S/C14H22N2O4S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)21(18,19)16(4)20-5/h6-11H,1-5H3,(H,15,17)
InChIKeyUUFBRRYLRXHDCU-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.64
Rot. Bonds6

About 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide

3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide (PubChem CID 51250979) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
PubChem CID51250979
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NC(C)C(C)C)c1
InChIInChI=1S/C14H22N2O4S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)21(18,19)16(4)20-5/h6-11H,1-5H3,(H,15,17)
InChIKeyUUFBRRYLRXHDCU-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.64
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

3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
CID 51204934
N-[cyclopropyl(phenyl)methyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18131655
N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55693616
N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 35125317
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46421231
3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100571722

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide (CID 51250979) is 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)NC(C)C(C)C)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is UUFBRRYLRXHDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)11(3)15-14(17)12-7-6-8-13(9-12)21(18,19)16(4)20-5/h6-11H,1-5H3,(H,15,17).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide?
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 314.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 51250979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).