(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate

C17H23ClN2O6S2 — CID 2998091

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C17H23ClN2O6S2/c1-27-11-6-15(19-28(23,24)14-4-2-13(18)3-5-14)17(22)26-12-16(21)20-7-9-25-10-8-20/h2-5,15,19H,6-12H2,1H3
InChIKeyORPCCCRKLAWDMV-UHFFFAOYSA-N
MW450.97 g/mol
LogP1.14
Rot. Bonds9

About (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate

(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate (PubChem CID 2998091) has the molecular formula C17H23ClN2O6S2 and a molecular weight of 450.97 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
PubChem CID2998091
Molecular FormulaC17H23ClN2O6S2
Molecular Weight450.97 g/mol
Exact Mass450.07
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C17H23ClN2O6S2/c1-27-11-6-15(19-28(23,24)14-4-2-13(18)3-5-14)17(22)26-12-16(21)20-7-9-25-10-8-20/h2-5,15,19H,6-12H2,1H3
InChIKeyORPCCCRKLAWDMV-UHFFFAOYSA-N
XLogP1.14
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Chloro-N-(1-methyl-2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2955346
2-((1,1-Dioxidotetrahydrothiophen-3-yl)(methyl)amino)-2-oxoethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate
CID 4846506
(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7869973
[2-(Cyclohexylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2379633
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4353476
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]acetate
CID 2450166
Methyl 2-[(2-{[(4-chlorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate
CID 3829091
[2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(benzenesulfonyl)propanoate
CID 24688018
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 24980610
(2-Oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate
CID 2363075
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4602035
[2-(Cyclopropylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 5033101

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate (CID 2998091) is (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate is CSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate?
The InChIKey is ORPCCCRKLAWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O6S2/c1-27-11-6-15(19-28(23,24)14-4-2-13(18)3-5-14)17(22)26-12-16(21)20-7-9-25-10-8-20/h2-5,15,19H,6-12H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate?
(2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate has a molecular weight of 450.97 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate is sourced from PubChem (CID 2998091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).