ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate

C17H19NO3S — CID 734088

IUPACethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H19NO3S/c1-3-13-11-14(17(20)21-4-2)16(22-13)18-15(19)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyDUIZGDIPPCQVNM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.67
Rot. Bonds6

About ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate (PubChem CID 734088) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
PubChem CID734088
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Nameethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccccc1
InChIInChI=1S/C17H19NO3S/c1-3-13-11-14(17(20)21-4-2)16(22-13)18-15(19)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyDUIZGDIPPCQVNM-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate (CID 734088) is ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccccc1.
What is the InChIKey of ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is DUIZGDIPPCQVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-13-11-14(17(20)21-4-2)16(22-13)18-15(19)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,18,19).
What are the key properties of ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 317.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 734088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).