4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide

C16H19N3O5S — CID 17443500

IUPAC4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1S(=O)(=O)N(C)OC
InChIInChI=1S/C16H19N3O5S/c1-11-7-8-17-15(9-11)18-16(20)12-5-6-13(23-3)14(10-12)25(21,22)19(2)24-4/h5-10H,1-4H3,(H,17,18,20)
InChIKeyFIPFCWDXKXTSPS-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.83
Rot. Bonds6

About 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide

4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 17443500) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID17443500
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1S(=O)(=O)N(C)OC
InChIInChI=1S/C16H19N3O5S/c1-11-7-8-17-15(9-11)18-16(20)12-5-6-13(23-3)14(10-12)25(21,22)19(2)24-4/h5-10H,1-4H3,(H,17,18,20)
InChIKeyFIPFCWDXKXTSPS-UHFFFAOYSA-N
XLogP1.83
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide (CID 17443500) is 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide is COc1ccc(C(=O)Nc2cc(C)ccn2)cc1S(=O)(=O)N(C)OC.
What is the InChIKey of 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is FIPFCWDXKXTSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-11-7-8-17-15(9-11)18-16(20)12-5-6-13(23-3)14(10-12)25(21,22)19(2)24-4/h5-10H,1-4H3,(H,17,18,20).
What are the key properties of 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide?
4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 365.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 17443500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).