[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

C20H19N3O5S — CID 8601310

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H19N3O5S/c21-12-15-8-4-5-9-17(15)29(26,27)22-13-18(24)28-19(14-6-2-1-3-7-14)20(25)23-16-10-11-16/h1-9,16,19,22H,10-11,13H2,(H,23,25)/t19-/m1/s1
InChIKeyLFDPLEQXUPOJPJ-LJQANCHMSA-N
MW413.46 g/mol
LogP1.40
Rot. Bonds8

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (PubChem CID 8601310) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
PubChem CID8601310
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H19N3O5S/c21-12-15-8-4-5-9-17(15)29(26,27)22-13-18(24)28-19(14-6-2-1-3-7-14)20(25)23-16-10-11-16/h1-9,16,19,22H,10-11,13H2,(H,23,25)/t19-/m1/s1
InChIKeyLFDPLEQXUPOJPJ-LJQANCHMSA-N
XLogP1.40
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 9458294
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 18286806
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 8641481
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653682
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653370
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653269
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
CID 46825007

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (CID 8601310) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The InChIKey is LFDPLEQXUPOJPJ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O5S/c21-12-15-8-4-5-9-17(15)29(26,27)22-13-18(24)28-19(14-6-2-1-3-7-14)20(25)23-16-10-11-16/h1-9,16,19,22H,10-11,13H2,(H,23,25)/t19-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate has a molecular weight of 413.46 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 8601310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).