[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C20H18N2O4S2 — CID 55421748

IUPAC[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESCC(=O)c1ccccc1NC(=O)C(C)OC(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C20H18N2O4S2/c1-12(23)15-6-3-4-7-16(15)22-19(25)13(2)26-18(24)10-14-11-28-20(21-14)17-8-5-9-27-17/h3-9,11,13H,10H2,1-2H3,(H,22,25)
InChIKeyPXTLTGSMMQZTCZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.19
Rot. Bonds7

About [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 55421748) has the molecular formula C20H18N2O4S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID55421748
Molecular FormulaC20H18N2O4S2
Molecular Weight414.51 g/mol
Exact Mass414.07
IUPAC Name[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESCC(=O)c1ccccc1NC(=O)C(C)OC(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C20H18N2O4S2/c1-12(23)15-6-3-4-7-16(15)22-19(25)13(2)26-18(24)10-14-11-28-20(21-14)17-8-5-9-27-17/h3-9,11,13H,10H2,1-2H3,(H,22,25)
InChIKeyPXTLTGSMMQZTCZ-UHFFFAOYSA-N
XLogP4.19
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 55378695
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46625602
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826748
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505380
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358875
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826877
[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8976903
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46622593
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886418
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8976815
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310510
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8602963

Frequently Asked Questions

What is the IUPAC name of [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 55421748) is [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is CC(=O)c1ccccc1NC(=O)C(C)OC(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is PXTLTGSMMQZTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S2/c1-12(23)15-6-3-4-7-16(15)22-19(25)13(2)26-18(24)10-14-11-28-20(21-14)17-8-5-9-27-17/h3-9,11,13H,10H2,1-2H3,(H,22,25).
What are the key properties of [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 414.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55421748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).