ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate

C19H23NO3S — CID 24720095

IUPACethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)sc1NC(=O)CCc1ccccc1
InChIInChI=1S/C19H23NO3S/c1-4-23-19(22)15-12-16(13(2)3)24-18(15)20-17(21)11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,21)
InChIKeyNEMSGHZGPWBCBB-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.62
Rot. Bonds7

About ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate

ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate (PubChem CID 24720095) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate
PubChem CID24720095
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Nameethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)sc1NC(=O)CCc1ccccc1
InChIInChI=1S/C19H23NO3S/c1-4-23-19(22)15-12-16(13(2)3)24-18(15)20-17(21)11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,21)
InChIKeyNEMSGHZGPWBCBB-UHFFFAOYSA-N
XLogP4.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(butanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92759883
ethyl 2-(butanoylamino)-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086648
5-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-5-oxopentanoate
CID 5002103
ethyl 2-[[2-[(E)-3-phenylprop-2-enoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7860663
ethyl 5-[(1S)-1-phenylethyl]-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 92769085
ethyl 2-[(4-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
CID 46094798
[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772591
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7916277
ethyl 2-(3-cyclopentylpropanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92761246
ethyl 2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 9050241
ethyl 2-[[2-(4-carbamoylphenoxy)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 7893415
ethyl 2-[[(2S)-2-methylpentanoyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 92756718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate (CID 24720095) is ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate is CCOC(=O)c1cc(C(C)C)sc1NC(=O)CCc1ccccc1.
What is the InChIKey of ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate?
The InChIKey is NEMSGHZGPWBCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-4-23-19(22)15-12-16(13(2)3)24-18(15)20-17(21)11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate?
ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate has a molecular weight of 345.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-phenylpropanoylamino)-5-propan-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 24720095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).