ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate

C24H19NO3S — CID 134154057

IUPACethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H19NO3S/c1-2-28-24(27)20-15-21(17-9-4-3-5-10-17)29-23(20)25-22(26)19-13-12-16-8-6-7-11-18(16)14-19/h3-15H,2H2,1H3,(H,25,26)
InChIKeyBOXQWPWSSYVTDZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP6.00
Rot. Bonds5

About ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate

ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate (PubChem CID 134154057) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate
PubChem CID134154057
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC Nameethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H19NO3S/c1-2-28-24(27)20-15-21(17-9-4-3-5-10-17)29-23(20)25-22(26)19-13-12-16-8-6-7-11-18(16)14-19/h3-15H,2H2,1H3,(H,25,26)
InChIKeyBOXQWPWSSYVTDZ-UHFFFAOYSA-N
XLogP6.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate (CID 134154057) is ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate?
The InChIKey is BOXQWPWSSYVTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S/c1-2-28-24(27)20-15-21(17-9-4-3-5-10-17)29-23(20)25-22(26)19-13-12-16-8-6-7-11-18(16)14-19/h3-15H,2H2,1H3,(H,25,26).
What are the key properties of ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate?
ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate has a molecular weight of 401.49 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(naphthalene-2-carbonylamino)-5-phenylthiophene-3-carboxylate is sourced from PubChem (CID 134154057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).