4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide

C18H19N3O4S — CID 46467596

IUPAC4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-10-14-11-15(6-9-17(14)19-12)20-18(22)13-4-7-16(8-5-13)26(23,24)21(2)25-3/h4-11,19H,1-3H3,(H,20,22)
InChIKeyVFGKNHUTKNTDLK-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.91
Rot. Bonds5

About 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide

4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide (PubChem CID 46467596) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide
PubChem CID46467596
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-10-14-11-15(6-9-17(14)19-12)20-18(22)13-4-7-16(8-5-13)26(23,24)21(2)25-3/h4-11,19H,1-3H3,(H,20,22)
InChIKeyVFGKNHUTKNTDLK-UHFFFAOYSA-N
XLogP2.91
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 86930444
3-fluoro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 37007579
N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 51125607
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2,4-dimethylbenzamide
CID 60601161
4-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39849013
4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943742
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451
4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide
CID 47071098
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
N-[4-(diethylsulfamoyl)phenyl]-2-methyl-4-oxo-1H-quinoline-6-carboxamide
CID 39849550
4-[methoxy(methyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370312

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide (CID 46467596) is 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide?
The InChIKey is VFGKNHUTKNTDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-10-14-11-15(6-9-17(14)19-12)20-18(22)13-4-7-16(8-5-13)26(23,24)21(2)25-3/h4-11,19H,1-3H3,(H,20,22).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide?
4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide is sourced from PubChem (CID 46467596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).