N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide

C18H11NO3S — CID 4298204

IUPACN-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc2sccc2c1)c1coc2ccccc2c1=O
InChIInChI=1S/C18H11NO3S/c20-17-13-3-1-2-4-15(13)22-10-14(17)18(21)19-12-5-6-16-11(9-12)7-8-23-16/h1-10H,(H,19,21)
InChIKeyASRNQQWHUBTBCW-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.26
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide

N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide (PubChem CID 4298204) has the molecular formula C18H11NO3S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide
PubChem CID4298204
Molecular FormulaC18H11NO3S
Molecular Weight321.36 g/mol
Exact Mass321.05
IUPAC NameN-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc2sccc2c1)c1coc2ccccc2c1=O
InChIInChI=1S/C18H11NO3S/c20-17-13-3-1-2-4-15(13)22-10-14(17)18(21)19-12-5-6-16-11(9-12)7-8-23-16/h1-10H,(H,19,21)
InChIKeyASRNQQWHUBTBCW-UHFFFAOYSA-N
XLogP4.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide (CID 4298204) is N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide is O=C(Nc1ccc2sccc2c1)c1coc2ccccc2c1=O.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide?
The InChIKey is ASRNQQWHUBTBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3S/c20-17-13-3-1-2-4-15(13)22-10-14(17)18(21)19-12-5-6-16-11(9-12)7-8-23-16/h1-10H,(H,19,21).
What are the key properties of N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide?
N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 4298204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).