N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide

C22H22FN3O4S — CID 38538539

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCCOc1ncccc1CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C
InChIInChI=1S/C22H22FN3O4S/c1-3-30-22-16(5-4-12-24-22)14-25-21(27)20-13-19(11-6-15(20)2)31(28,29)26-18-9-7-17(23)8-10-18/h4-13,26H,3,14H2,1-2H3,(H,25,27)
InChIKeyZCKPUMIWPLGHCI-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.66
Rot. Bonds8

About N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide

N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 38538539) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID38538539
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCCOc1ncccc1CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C
InChIInChI=1S/C22H22FN3O4S/c1-3-30-22-16(5-4-12-24-22)14-25-21(27)20-13-19(11-6-15(20)2)31(28,29)26-18-9-7-17(23)8-10-18/h4-13,26H,3,14H2,1-2H3,(H,25,27)
InChIKeyZCKPUMIWPLGHCI-UHFFFAOYSA-N
XLogP3.66
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbenzamide
CID 37485846
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(8-methylquinolin-5-yl)benzamide
CID 38266314
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196
N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35152346

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 38538539) is N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide is CCOc1ncccc1CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is ZCKPUMIWPLGHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-3-30-22-16(5-4-12-24-22)14-25-21(27)20-13-19(11-6-15(20)2)31(28,29)26-18-9-7-17(23)8-10-18/h4-13,26H,3,14H2,1-2H3,(H,25,27).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 443.50 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 38538539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).