4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C20H20F3N3O6S — CID 4845634

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20F3N3O6S/c1-31-15-5-2-12(10-16(15)33(29,30)26-6-8-32-9-7-26)20(28)24-11-17(27)25-14-4-3-13(21)18(22)19(14)23/h2-5,10H,6-9,11H2,1H3,(H,24,28)(H,25,27)
InChIKeyOISJQSJMODZHSO-UHFFFAOYSA-N
MW487.46 g/mol
LogP1.50
Rot. Bonds7

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 4845634) has the molecular formula C20H20F3N3O6S and a molecular weight of 487.46 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID4845634
Molecular FormulaC20H20F3N3O6S
Molecular Weight487.46 g/mol
Exact Mass487.10
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20F3N3O6S/c1-31-15-5-2-12(10-16(15)33(29,30)26-6-8-32-9-7-26)20(28)24-11-17(27)25-14-4-3-13(21)18(22)19(14)23/h2-5,10H,6-9,11H2,1H3,(H,24,28)(H,25,27)
InChIKeyOISJQSJMODZHSO-UHFFFAOYSA-N
XLogP1.50
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 43009760
N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
CID 4840852
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55335989
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
2-(3,5-difluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24562331
3-methoxy-4-(2-methylpropoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812831
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 4845634) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is OISJQSJMODZHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O6S/c1-31-15-5-2-12(10-16(15)33(29,30)26-6-8-32-9-7-26)20(28)24-11-17(27)25-14-4-3-13(21)18(22)19(14)23/h2-5,10H,6-9,11H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 487.46 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 4845634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).