[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C23H26FNO6S — CID 42986052

IUPAC[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1
InChIInChI=1S/C23H26FNO6S/c1-3-16-5-6-17(4-2)19(13-16)22(26)15-31-23(27)20-14-18(7-8-21(20)24)32(28,29)25-9-11-30-12-10-25/h5-8,13-14H,3-4,9-12,15H2,1-2H3
InChIKeyNDMTUAOWTXQELQ-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.01
Rot. Bonds8

About [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 42986052) has the molecular formula C23H26FNO6S and a molecular weight of 463.53 g/mol. Its IUPAC name is [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID42986052
Molecular FormulaC23H26FNO6S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC Name[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1
InChIInChI=1S/C23H26FNO6S/c1-3-16-5-6-17(4-2)19(13-16)22(26)15-31-23(27)20-14-18(7-8-21(20)24)32(28,29)25-9-11-30-12-10-25/h5-8,13-14H,3-4,9-12,15H2,1-2H3
InChIKeyNDMTUAOWTXQELQ-UHFFFAOYSA-N
XLogP3.01
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

1-(2,5-diethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9332581
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722
[2-(ethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530482
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
[2-(2,5-diethylphenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42986055
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3893462
[2-(4-bromoanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346749
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 41070596
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521123
(2-cyanophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2652352
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521159

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 42986052) is [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is CCc1ccc(CC)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1.
What is the InChIKey of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is NDMTUAOWTXQELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO6S/c1-3-16-5-6-17(4-2)19(13-16)22(26)15-31-23(27)20-14-18(7-8-21(20)24)32(28,29)25-9-11-30-12-10-25/h5-8,13-14H,3-4,9-12,15H2,1-2H3.
What are the key properties of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 463.53 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 42986052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).