[(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

C15H19N3O5S — CID 7979620

IUPAC[(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)O[C@H](C)C#N)cc1
InChIInChI=1S/C15H19N3O5S/c1-10(2)18-24(21,22)13-6-4-12(5-7-13)15(20)17-9-14(19)23-11(3)8-16/h4-7,10-11,18H,9H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyRGJYJPYEESGXKQ-LLVKDONJSA-N
MW353.40 g/mol
LogP0.56
Rot. Bonds7

About [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

[(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate (PubChem CID 7979620) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
PubChem CID7979620
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name[(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)O[C@H](C)C#N)cc1
InChIInChI=1S/C15H19N3O5S/c1-10(2)18-24(21,22)13-6-4-12(5-7-13)15(20)17-9-14(19)23-11(3)8-16/h4-7,10-11,18H,9H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyRGJYJPYEESGXKQ-LLVKDONJSA-N
XLogP0.56
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979636
[(1S)-1-cyanoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885185
[(1S)-1-cyanoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885658
1-cyanoethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18206879
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979598
N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 94044019
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016
N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 65031709
[(1R)-1-cyanoethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 8939367
N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9038896
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate (CID 7979620) is [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate is CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)O[C@H](C)C#N)cc1.
What is the InChIKey of [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is RGJYJPYEESGXKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-10(2)18-24(21,22)13-6-4-12(5-7-13)15(20)17-9-14(19)23-11(3)8-16/h4-7,10-11,18H,9H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate?
[(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 353.40 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 7979620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).