[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C18H20N2O5S — CID 25162276

IUPAC[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)CCn2c(C)csc2=O)c1
InChIInChI=1S/C18H20N2O5S/c1-11-10-26-18(24)20(11)8-7-16(22)25-13(3)17(23)19-15-6-4-5-14(9-15)12(2)21/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,23)
InChIKeyFHAUJHYTDVPMED-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.38
Rot. Bonds7

About [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 25162276) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID25162276
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)CCn2c(C)csc2=O)c1
InChIInChI=1S/C18H20N2O5S/c1-11-10-26-18(24)20(11)8-7-16(22)25-13(3)17(23)19-15-6-4-5-14(9-15)12(2)21/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,23)
InChIKeyFHAUJHYTDVPMED-UHFFFAOYSA-N
XLogP2.38
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 25162276) is [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is CC(=O)c1cccc(NC(=O)C(C)OC(=O)CCn2c(C)csc2=O)c1.
What is the InChIKey of [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is FHAUJHYTDVPMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-11-10-26-18(24)20(11)8-7-16(22)25-13(3)17(23)19-15-6-4-5-14(9-15)12(2)21/h4-6,9-10,13H,7-8H2,1-3H3,(H,19,23).
What are the key properties of [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 376.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 25162276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).