[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate

C16H22N2O5S — CID 7863711

IUPAC[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2CC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-10(2)18-24(21,22)14-8-6-13(7-9-14)17-15(19)11(3)23-16(20)12-4-5-12/h6-12,18H,4-5H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyJUGVZUSOTHAILO-LLVKDONJSA-N
MW354.43 g/mol
LogP1.65
Rot. Bonds7

About [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate

[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate (PubChem CID 7863711) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
PubChem CID7863711
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2CC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-10(2)18-24(21,22)14-8-6-13(7-9-14)17-15(19)11(3)23-16(20)12-4-5-12/h6-12,18H,4-5H2,1-3H3,(H,17,19)/t11-/m1/s1
InChIKeyJUGVZUSOTHAILO-LLVKDONJSA-N
XLogP1.65
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
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[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 42900728
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
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methyl 1-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]piperidine-4-carboxylate
CID 9356817
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 3-methylbut-2-enoate
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[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-chlorobenzoate
CID 46790148
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 2511069
[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate?
The IUPAC name of [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate (CID 7863711) is [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate is CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2CC2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate?
The InChIKey is JUGVZUSOTHAILO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-10(2)18-24(21,22)14-8-6-13(7-9-14)17-15(19)11(3)23-16(20)12-4-5-12/h6-12,18H,4-5H2,1-3H3,(H,17,19)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate?
[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate has a molecular weight of 354.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 7863711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).