ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate

C17H19NO3S — CID 110183706

IUPACethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)Cc1ccsc1
InChIInChI=1S/C17H19NO3S/c1-2-21-17(20)15(10-13-6-4-3-5-7-13)18-16(19)11-14-8-9-22-12-14/h3-9,12,15H,2,10-11H2,1H3,(H,18,19)
InChIKeyJFMDULRHGGNXTM-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.58
Rot. Bonds7

About ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate

ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate (PubChem CID 110183706) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
PubChem CID110183706
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Nameethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)Cc1ccsc1
InChIInChI=1S/C17H19NO3S/c1-2-21-17(20)15(10-13-6-4-3-5-7-13)18-16(19)11-14-8-9-22-12-14/h3-9,12,15H,2,10-11H2,1H3,(H,18,19)
InChIKeyJFMDULRHGGNXTM-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl 2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 48680471
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 18468105
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 110493570
ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate?
The IUPAC name of ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate (CID 110183706) is ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate.
What is the SMILES notation for ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate?
The canonical SMILES for ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)Cc1ccsc1.
What is the InChIKey of ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate?
The InChIKey is JFMDULRHGGNXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-21-17(20)15(10-13-6-4-3-5-7-13)18-16(19)11-14-8-9-22-12-14/h3-9,12,15H,2,10-11H2,1H3,(H,18,19).
What are the key properties of ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate?
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate has a molecular weight of 317.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate is sourced from PubChem (CID 110183706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).