[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate

C14H19ClN2O5S — CID 8841956

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCCNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O5S/c1-4-16-13(18)10(3)22-14(19)9(2)17-23(20,21)12-7-5-11(15)6-8-12/h5-10,17H,4H2,1-3H3,(H,16,18)/t9-,10+/m0/s1
InChIKeyORJASYLFZRKGKN-VHSXEESVSA-N
MW362.84 g/mol
LogP1.07
Rot. Bonds7

About [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 8841956) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID8841956
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCCNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O5S/c1-4-16-13(18)10(3)22-14(19)9(2)17-23(20,21)12-7-5-11(15)6-8-12/h5-10,17H,4H2,1-3H3,(H,16,18)/t9-,10+/m0/s1
InChIKeyORJASYLFZRKGKN-VHSXEESVSA-N
XLogP1.07
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565638
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841878
[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8641565
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 7169393
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55937037
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 16565701
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate (CID 8841956) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate is CCNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is ORJASYLFZRKGKN-VHSXEESVSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-4-16-13(18)10(3)22-14(19)9(2)17-23(20,21)12-7-5-11(15)6-8-12/h5-10,17H,4H2,1-3H3,(H,16,18)/t9-,10+/m0/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 362.84 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8841956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).