[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

C20H23NO6S — CID 8873587

IUPAC[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23NO6S/c1-15(16-6-4-3-5-7-16)27-20(22)17-8-9-18(25-2)19(14-17)28(23,24)21-10-12-26-13-11-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1
InChIKeyOFCUFOFDAWELGB-OAHLLOKOSA-N
MW405.47 g/mol
LogP2.63
Rot. Bonds6

About [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 8873587) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
PubChem CID8873587
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)O[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23NO6S/c1-15(16-6-4-3-5-7-16)27-20(22)17-8-9-18(25-2)19(14-17)28(23,24)21-10-12-26-13-11-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1
InChIKeyOFCUFOFDAWELGB-OAHLLOKOSA-N
XLogP2.63
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
[(1R)-1-(4-fluorophenyl)ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 40855106
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42973039
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42963448
[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42980655
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
(1-oxo-1-phenylpropan-2-yl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509184
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 24982903
3-(4-benzhydrylpiperazin-1-yl)sulfonyl-4-methoxybenzoic acid
CID 3982835
(1-oxo-1-phenylpropan-2-yl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16578086
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 26009077

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (CID 8873587) is [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is COc1ccc(C(=O)O[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is OFCUFOFDAWELGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-15(16-6-4-3-5-7-16)27-20(22)17-8-9-18(25-2)19(14-17)28(23,24)21-10-12-26-13-11-21/h3-9,14-15H,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 405.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 8873587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).