4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide

C27H28F2N4O5S — CID 142781703

IUPAC4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(F)cc2)cc1CC(=O)NCC1CCNCC1
InChIInChI=1S/C27H28F2N4O5S/c28-19-1-4-21(5-2-19)38-25-8-3-20(29)15-24(25)33-39(36,37)22-6-7-23(27(30)35)18(13-22)14-26(34)32-16-17-9-11-31-12-10-17/h1-8,13,15,17,31,33H,9-12,14,16H2,(H2,30,35)(H,32,34)
InChIKeyBSLOSFGXLDLUPI-UHFFFAOYSA-N
MW558.61 g/mol
LogP3.32
Rot. Bonds10

About 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide

4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide (PubChem CID 142781703) has the molecular formula C27H28F2N4O5S and a molecular weight of 558.61 g/mol. Its IUPAC name is 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide
PubChem CID142781703
Molecular FormulaC27H28F2N4O5S
Molecular Weight558.61 g/mol
Exact Mass558.17
IUPAC Name4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(F)cc2)cc1CC(=O)NCC1CCNCC1
InChIInChI=1S/C27H28F2N4O5S/c28-19-1-4-21(5-2-19)38-25-8-3-20(29)15-24(25)33-39(36,37)22-6-7-23(27(30)35)18(13-22)14-26(34)32-16-17-9-11-31-12-10-17/h1-8,13,15,17,31,33H,9-12,14,16H2,(H2,30,35)(H,32,34)
InChIKeyBSLOSFGXLDLUPI-UHFFFAOYSA-N
XLogP3.32
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.61
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide with MolForge

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Related Compounds

4-[1-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide
CID 71238380
4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
CID 18669392
N-[(2S)-6-amino-1-oxo-1-(piperidin-4-ylmethylamino)hexan-2-yl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 87472420
2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid
CID 68577142
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride
CID 24900040
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide
CID 142791325
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide (CID 142781703) is 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(F)cc2)cc1CC(=O)NCC1CCNCC1.
What is the InChIKey of 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide?
The InChIKey is BSLOSFGXLDLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O5S/c28-19-1-4-21(5-2-19)38-25-8-3-20(29)15-24(25)33-39(36,37)22-6-7-23(27(30)35)18(13-22)14-26(34)32-16-17-9-11-31-12-10-17/h1-8,13,15,17,31,33H,9-12,14,16H2,(H2,30,35)(H,32,34).
What are the key properties of 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide?
4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide has a molecular weight of 558.61 g/mol, XLogP of 3.32, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-(4-fluorophenoxy)phenyl]sulfamoyl]-2-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 142781703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).