2-benzamidoethyl thiophene-3-carboxylate

C14H13NO3S — CID 71987556

IUPAC2-benzamidoethyl thiophene-3-carboxylate
SMILESO=C(NCCOC(=O)c1ccsc1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(11-4-2-1-3-5-11)15-7-8-18-14(17)12-6-9-19-10-12/h1-6,9-10H,7-8H2,(H,15,16)
InChIKeyULIJSRIHZKSEQP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.33
Rot. Bonds5

About 2-benzamidoethyl thiophene-3-carboxylate

2-benzamidoethyl thiophene-3-carboxylate (PubChem CID 71987556) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-benzamidoethyl thiophene-3-carboxylate.

Molecular Properties

Compound Name2-benzamidoethyl thiophene-3-carboxylate
PubChem CID71987556
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-benzamidoethyl thiophene-3-carboxylate
SMILESO=C(NCCOC(=O)c1ccsc1)c1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(11-4-2-1-3-5-11)15-7-8-18-14(17)12-6-9-19-10-12/h1-6,9-10H,7-8H2,(H,15,16)
InChIKeyULIJSRIHZKSEQP-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzamidoethyl pyridine-4-carboxylate
CID 2174536
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
(4-amino-4-oxobutyl) thiophene-3-carboxylate
CID 71974804
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
2-(thiophene-3-carbonyloxy)ethanesulfonic acid
CID 129061901
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
2-benzamidoethyl (2S)-2-amino-3-phenylpropanoate
CID 70501076
2-(methylamino)ethyl benzoate
CID 158644589
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
2-benzamidoethyl nitrate
CID 10536408
methyl 4-benzamidobutanoate
CID 13197711

Frequently Asked Questions

What is the IUPAC name of 2-benzamidoethyl thiophene-3-carboxylate?
The IUPAC name of 2-benzamidoethyl thiophene-3-carboxylate (CID 71987556) is 2-benzamidoethyl thiophene-3-carboxylate.
What is the SMILES notation for 2-benzamidoethyl thiophene-3-carboxylate?
The canonical SMILES for 2-benzamidoethyl thiophene-3-carboxylate is O=C(NCCOC(=O)c1ccsc1)c1ccccc1.
What is the InChIKey of 2-benzamidoethyl thiophene-3-carboxylate?
The InChIKey is ULIJSRIHZKSEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(11-4-2-1-3-5-11)15-7-8-18-14(17)12-6-9-19-10-12/h1-6,9-10H,7-8H2,(H,15,16).
What are the key properties of 2-benzamidoethyl thiophene-3-carboxylate?
2-benzamidoethyl thiophene-3-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoethyl thiophene-3-carboxylate is sourced from PubChem (CID 71987556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).