3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide

C17H28N2O4S — CID 51204934

IUPAC3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NC(C)CCCC(C)C)c1
InChIInChI=1S/C17H28N2O4S/c1-13(2)8-6-9-14(3)18-17(20)15-10-7-11-16(12-15)24(21,22)19(4)23-5/h7,10-14H,6,8-9H2,1-5H3,(H,18,20)
InChIKeyBBUIWILXVLQGGO-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.81
Rot. Bonds9

About 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide

3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide (PubChem CID 51204934) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
PubChem CID51204934
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NC(C)CCCC(C)C)c1
InChIInChI=1S/C17H28N2O4S/c1-13(2)8-6-9-14(3)18-17(20)15-10-7-11-16(12-15)24(21,22)19(4)23-5/h7,10-14H,6,8-9H2,1-5H3,(H,18,20)
InChIKeyBBUIWILXVLQGGO-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.81
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-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
3-(6-methylheptan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 61470964
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-[cyclopropyl(phenyl)methyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18131655
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-6-methylheptan-2-yl]benzamide
CID 25486199
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063
N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55693616
N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46421231
3-(2-methoxyethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 134019674
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 35125317
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide (CID 51204934) is 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)NC(C)CCCC(C)C)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is BBUIWILXVLQGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13(2)8-6-9-14(3)18-17(20)15-10-7-11-16(12-15)24(21,22)19(4)23-5/h7,10-14H,6,8-9H2,1-5H3,(H,18,20).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide?
3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 356.49 g/mol, XLogP of 2.81, 9 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-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 51204934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).