[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate

C19H20N2O4S — CID 9384531

IUPAC[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1sccc1C#N
InChIInChI=1S/C19H20N2O4S/c1-3-24-16-7-5-4-6-14(16)8-9-17(22)25-13(2)18(23)21-19-15(12-20)10-11-26-19/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyRLJPDXBNSQLZJQ-CYBMUJFWSA-N
MW372.45 g/mol
LogP3.52
Rot. Bonds8

About [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate

[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 9384531) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
PubChem CID9384531
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1sccc1C#N
InChIInChI=1S/C19H20N2O4S/c1-3-24-16-7-5-4-6-14(16)8-9-17(22)25-13(2)18(23)21-19-15(12-20)10-11-26-19/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyRLJPDXBNSQLZJQ-CYBMUJFWSA-N
XLogP3.52
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate with MolForge

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Related Compounds

[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8937929
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731199
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384492
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384493
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524461
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524359
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384504
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384515
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384497
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-acetylphenoxy)acetate
CID 8638782
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384506
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate
CID 9309854

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate (CID 9384531) is [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1sccc1C#N.
What is the InChIKey of [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is RLJPDXBNSQLZJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-24-16-7-5-4-6-14(16)8-9-17(22)25-13(2)18(23)21-19-15(12-20)10-11-26-19/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate?
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 372.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 9384531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).