[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate

C21H24N2O8S — CID 42925677

IUPAC[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCc1cc(=O)oc(C)c1C(=O)OC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O8S/c1-13-12-18(24)30-14(2)19(13)21(26)31-15(3)20(25)22-16-4-6-17(7-5-16)32(27,28)23-8-10-29-11-9-23/h4-7,12,15H,8-11H2,1-3H3,(H,22,25)
InChIKeyXCONIEYGDLIBHZ-UHFFFAOYSA-N
MW464.50 g/mol
LogP1.46
Rot. Bonds6

About [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate

[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate (PubChem CID 42925677) has the molecular formula C21H24N2O8S and a molecular weight of 464.50 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate
PubChem CID42925677
Molecular FormulaC21H24N2O8S
Molecular Weight464.50 g/mol
Exact Mass464.13
IUPAC Name[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCc1cc(=O)oc(C)c1C(=O)OC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O8S/c1-13-12-18(24)30-14(2)19(13)21(26)31-15(3)20(25)22-16-4-6-17(7-5-16)32(27,28)23-8-10-29-11-9-23/h4-7,12,15H,8-11H2,1-3H3,(H,22,25)
InChIKeyXCONIEYGDLIBHZ-UHFFFAOYSA-N
XLogP1.46
TPSA132.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate with MolForge

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Related Compounds

[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 22108903
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 2108270
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 8548272
[(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 26919544
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 26002719
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790419
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 41081164
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
[(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 98405946
[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3-(2-chlorophenyl)prop-2-enoate
CID 3895054
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate
CID 8020994

Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The IUPAC name of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate (CID 42925677) is [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The canonical SMILES for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate is Cc1cc(=O)oc(C)c1C(=O)OC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The InChIKey is XCONIEYGDLIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O8S/c1-13-12-18(24)30-14(2)19(13)21(26)31-15(3)20(25)22-16-4-6-17(7-5-16)32(27,28)23-8-10-29-11-9-23/h4-7,12,15H,8-11H2,1-3H3,(H,22,25).
What are the key properties of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate has a molecular weight of 464.50 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 42925677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).