[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C21H24N2O7S2 — CID 4574356

IUPAC[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H24N2O7S2/c1-15-4-5-16(19(13-15)32(27,28)23-8-10-29-11-9-23)22-20(25)14-30-21(26)7-6-17(24)18-3-2-12-31-18/h2-5,12-13H,6-11,14H2,1H3,(H,22,25)
InChIKeyHNLGCFHWYQBRSO-UHFFFAOYSA-N
MW480.56 g/mol
LogP2.22
Rot. Bonds9

About [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 4574356) has the molecular formula C21H24N2O7S2 and a molecular weight of 480.56 g/mol. Its IUPAC name is [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID4574356
Molecular FormulaC21H24N2O7S2
Molecular Weight480.56 g/mol
Exact Mass480.10
IUPAC Name[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H24N2O7S2/c1-15-4-5-16(19(13-15)32(27,28)23-8-10-29-11-9-23)22-20(25)14-30-21(26)7-6-17(24)18-3-2-12-31-18/h2-5,12-13H,6-11,14H2,1H3,(H,22,25)
InChIKeyHNLGCFHWYQBRSO-UHFFFAOYSA-N
XLogP2.22
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 6591243
[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
CID 3000207
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3297690
[2-(2-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800079
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3893296
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 43026583
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 42962844
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-morpholin-4-ylsulfonylphenyl)acetamide
CID 2357853
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7890967
ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate
CID 2465519
(2-oxo-2-thiophen-2-ylethyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 574006

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 4574356) is [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is Cc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is HNLGCFHWYQBRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7S2/c1-15-4-5-16(19(13-15)32(27,28)23-8-10-29-11-9-23)22-20(25)14-30-21(26)7-6-17(24)18-3-2-12-31-18/h2-5,12-13H,6-11,14H2,1H3,(H,22,25).
What are the key properties of [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 480.56 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 4574356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).