[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate

C17H17NO3S — CID 43027103

IUPAC[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1cccs1)OC/C=C/c1ccccc1
InChIInChI=1S/C17H17NO3S/c19-16(10-11-18-17(20)15-9-5-13-22-15)21-12-4-8-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,18,20)/b8-4+
InChIKeyMFXVHQPUHUCKEY-XBXARRHUSA-N
MW315.39 g/mol
LogP3.12
Rot. Bonds7

About [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate

[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate (PubChem CID 43027103) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate
PubChem CID43027103
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1cccs1)OC/C=C/c1ccccc1
InChIInChI=1S/C17H17NO3S/c19-16(10-11-18-17(20)15-9-5-13-22-15)21-12-4-8-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,18,20)/b8-4+
InChIKeyMFXVHQPUHUCKEY-XBXARRHUSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
CID 31741424
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
6-oxo-6-(3-phenylprop-2-enoxy)hexanoic acid
CID 154188751
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 35294378
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 43027083
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate (CID 43027103) is [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate is O=C(CCNC(=O)c1cccs1)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate?
The InChIKey is MFXVHQPUHUCKEY-XBXARRHUSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-16(10-11-18-17(20)15-9-5-13-22-15)21-12-4-8-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,18,20)/b8-4+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate?
[(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate has a molecular weight of 315.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 3-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 43027103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).