N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide

C23H23FN2O5S — CID 4788551

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O5S/c1-30-22-14-11-18(25-23(27)8-5-15-31-19-6-3-2-4-7-19)16-21(22)26-32(28,29)20-12-9-17(24)10-13-20/h2-4,6-7,9-14,16,26H,5,8,15H2,1H3,(H,25,27)
InChIKeyZTYMBFKGEDVHDD-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.43
Rot. Bonds10

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide (PubChem CID 4788551) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
PubChem CID4788551
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O5S/c1-30-22-14-11-18(25-23(27)8-5-15-31-19-6-3-2-4-7-19)16-21(22)26-32(28,29)20-12-9-17(24)10-13-20/h2-4,6-7,9-14,16,26H,5,8,15H2,1H3,(H,25,27)
InChIKeyZTYMBFKGEDVHDD-UHFFFAOYSA-N
XLogP4.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
3-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-phenylpropanamide
CID 24637286
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55821878
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
N-[3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-3-oxopropyl]thiophene-3-carboxamide
CID 30483676

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide (CID 4788551) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide is COc1ccc(NC(=O)CCCOc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide?
The InChIKey is ZTYMBFKGEDVHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-30-22-14-11-18(25-23(27)8-5-15-31-19-6-3-2-4-7-19)16-21(22)26-32(28,29)20-12-9-17(24)10-13-20/h2-4,6-7,9-14,16,26H,5,8,15H2,1H3,(H,25,27).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide has a molecular weight of 458.51 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide is sourced from PubChem (CID 4788551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).