4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C22H26FN3O5S — CID 55335989

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C22H26FN3O5S/c1-14-10-15(2)21(16(3)11-14)25-20(27)13-24-22(28)17-4-5-18(23)19(12-17)32(29,30)26-6-8-31-9-7-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyHBNMUPVSCUOJIR-UHFFFAOYSA-N
MW463.53 g/mol
LogP2.14
Rot. Bonds6

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 55335989) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID55335989
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C22H26FN3O5S/c1-14-10-15(2)21(16(3)11-14)25-20(27)13-24-22(28)17-4-5-18(23)19(12-17)32(29,30)26-6-8-31-9-7-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyHBNMUPVSCUOJIR-UHFFFAOYSA-N
XLogP2.14
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide with MolForge

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Related Compounds

4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-fluoro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37001156
4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 4845634
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119503940

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 55335989) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is HBNMUPVSCUOJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-14-10-15(2)21(16(3)11-14)25-20(27)13-24-22(28)17-4-5-18(23)19(12-17)32(29,30)26-6-8-31-9-7-26/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 463.53 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 55335989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).