N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide

C26H29FN4O6S — CID 66890224

IUPACN-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccc(OCCN3CCOCC3)cc2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C26H29FN4O6S/c1-35-23-14-21(17-28-18-23)30-38(33,34)25-7-6-22(37-13-10-31-8-11-36-12-9-31)15-24(25)26(32)29-16-19-2-4-20(27)5-3-19/h2-7,14-15,17-18,30H,8-13,16H2,1H3,(H,29,32)
InChIKeySZOMYOBZUIOLGG-UHFFFAOYSA-N
MW544.61 g/mol
LogP2.67
Rot. Bonds11

About N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide

N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide (PubChem CID 66890224) has the molecular formula C26H29FN4O6S and a molecular weight of 544.61 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide
PubChem CID66890224
Molecular FormulaC26H29FN4O6S
Molecular Weight544.61 g/mol
Exact Mass544.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccc(OCCN3CCOCC3)cc2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C26H29FN4O6S/c1-35-23-14-21(17-28-18-23)30-38(33,34)25-7-6-22(37-13-10-31-8-11-36-12-9-31)15-24(25)26(32)29-16-19-2-4-20(27)5-3-19/h2-7,14-15,17-18,30H,8-13,16H2,1H3,(H,29,32)
InChIKeySZOMYOBZUIOLGG-UHFFFAOYSA-N
XLogP2.67
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide (CID 66890224) is N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide is COc1cncc(NS(=O)(=O)c2ccc(OCCN3CCOCC3)cc2C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide?
The InChIKey is SZOMYOBZUIOLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O6S/c1-35-23-14-21(17-28-18-23)30-38(33,34)25-7-6-22(37-13-10-31-8-11-36-12-9-31)15-24(25)26(32)29-16-19-2-4-20(27)5-3-19/h2-7,14-15,17-18,30H,8-13,16H2,1H3,(H,29,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide?
N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide has a molecular weight of 544.61 g/mol, XLogP of 2.67, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]-5-(2-morpholin-4-ylethoxy)benzamide is sourced from PubChem (CID 66890224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).