methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate

C17H24N2O6S2 — CID 8766278

IUPACmethyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate
SMILESCOC(=O)CCS[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O6S2/c1-13(26-12-7-16(20)24-2)17(21)18-14-3-5-15(6-4-14)27(22,23)19-8-10-25-11-9-19/h3-6,13H,7-12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyMJFZGSIIBJZLQT-CYBMUJFWSA-N
MW416.52 g/mol
LogP1.33
Rot. Bonds8

About methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate

methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate (PubChem CID 8766278) has the molecular formula C17H24N2O6S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate
PubChem CID8766278
Molecular FormulaC17H24N2O6S2
Molecular Weight416.52 g/mol
Exact Mass416.11
IUPAC Namemethyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate
SMILESCOC(=O)CCS[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O6S2/c1-13(26-12-7-16(20)24-2)17(21)18-14-3-5-15(6-4-14)27(22,23)19-8-10-25-11-9-19/h3-6,13H,7-12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyMJFZGSIIBJZLQT-CYBMUJFWSA-N
XLogP1.33
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790419
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
(2S)-2-cyclopentylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7398211
ethyl 2-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]sulfanylacetate
CID 8604596
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 2108270
methyl 3-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylpropanoate
CID 4816086
(2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 41077135

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate?
The IUPAC name of methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate (CID 8766278) is methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate.
What is the SMILES notation for methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate?
The canonical SMILES for methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate is COC(=O)CCS[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate?
The InChIKey is MJFZGSIIBJZLQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O6S2/c1-13(26-12-7-16(20)24-2)17(21)18-14-3-5-15(6-4-14)27(22,23)19-8-10-25-11-9-19/h3-6,13H,7-12H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate?
methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate has a molecular weight of 416.52 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]sulfanylpropanoate is sourced from PubChem (CID 8766278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).