[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate

C20H23NO5S — CID 7651295

IUPAC[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1CC
InChIInChI=1S/C20H23NO5S/c1-4-6-17-13(5-2)9-18(27-17)20(23)26-12(3)19(22)21-14-7-8-15-16(10-14)25-11-24-15/h7-10,12H,4-6,11H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyHIMSORYHFIJDIN-GFCCVEGCSA-N
MW389.47 g/mol
LogP4.18
Rot. Bonds7

About [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate

[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 7651295) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID7651295
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1CC
InChIInChI=1S/C20H23NO5S/c1-4-6-17-13(5-2)9-18(27-17)20(23)26-12(3)19(22)21-14-7-8-15-16(10-14)25-11-24-15/h7-10,12H,4-6,11H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyHIMSORYHFIJDIN-GFCCVEGCSA-N
XLogP4.18
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate with MolForge

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Related Compounds

[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 42982323
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2502804
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2502802
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2514923
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512861
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 42243245
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 46795614
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-pyrrol-1-ylbenzoate
CID 40556695
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629281
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate
CID 8538058
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606682

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate (CID 7651295) is [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1CC.
What is the InChIKey of [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is HIMSORYHFIJDIN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-4-6-17-13(5-2)9-18(27-17)20(23)26-12(3)19(22)21-14-7-8-15-16(10-14)25-11-24-15/h7-10,12H,4-6,11H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 389.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 7651295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).