[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate

C20H24N2O6S2 — CID 41296919

IUPAC[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C20H24N2O6S2/c1-13(2)22-30(26,27)16-8-6-15(7-9-16)21-20(25)14(3)28-19(24)11-10-17(23)18-5-4-12-29-18/h4-9,12-14,22H,10-11H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyZNSWJSQSHHWLRI-AWEZNQCLSA-N
MW452.55 g/mol
LogP2.97
Rot. Bonds10

About [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate

[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 41296919) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID41296919
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Name[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C20H24N2O6S2/c1-13(2)22-30(26,27)16-8-6-15(7-9-16)21-20(25)14(3)28-19(24)11-10-17(23)18-5-4-12-29-18/h4-9,12-14,22H,10-11H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyZNSWJSQSHHWLRI-AWEZNQCLSA-N
XLogP2.97
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799576
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799888
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7781384
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 42918457
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701436
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7485340
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate
CID 2570849
N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807727
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4541464
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7523958
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 5-methylthiophene-2-carboxylate
CID 55318696
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate (CID 41296919) is [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is ZNSWJSQSHHWLRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-13(2)22-30(26,27)16-8-6-15(7-9-16)21-20(25)14(3)28-19(24)11-10-17(23)18-5-4-12-29-18/h4-9,12-14,22H,10-11H2,1-3H3,(H,21,25)/t14-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate?
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 452.55 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 41296919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).