N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide

C18H20FN3O4S — CID 659430

IUPACN-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C18H20FN3O4S/c1-13(23)20-14-2-5-16(6-3-14)27(24,25)21-15-4-7-18(17(19)12-15)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23)
InChIKeyXHYPQEOTYKNCKN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.42
Rot. Bonds5

About N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide

N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 659430) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID659430
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C18H20FN3O4S/c1-13(23)20-14-2-5-16(6-3-14)27(24,25)21-15-4-7-18(17(19)12-15)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23)
InChIKeyXHYPQEOTYKNCKN-UHFFFAOYSA-N
XLogP2.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide (CID 659430) is N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1.
What is the InChIKey of N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is XHYPQEOTYKNCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-13(23)20-14-2-5-16(6-3-14)27(24,25)21-15-4-7-18(17(19)12-15)22-8-10-26-11-9-22/h2-7,12,21H,8-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 659430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).