4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide

C19H15NO3S2 — CID 1231734

IUPAC4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide
SMILESCCc1c(C(=O)Nc2scc3c2c(=O)oc2ccccc23)csc1C
InChIInChI=1S/C19H15NO3S2/c1-3-11-10(2)24-9-14(11)17(21)20-18-16-13(8-25-18)12-6-4-5-7-15(12)23-19(16)22/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyWRSVBMLTGQDHMN-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.19
Rot. Bonds3

About 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide

4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide (PubChem CID 1231734) has the molecular formula C19H15NO3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide
PubChem CID1231734
Molecular FormulaC19H15NO3S2
Molecular Weight369.47 g/mol
Exact Mass369.05
IUPAC Name4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide
SMILESCCc1c(C(=O)Nc2scc3c2c(=O)oc2ccccc23)csc1C
InChIInChI=1S/C19H15NO3S2/c1-3-11-10(2)24-9-14(11)17(21)20-18-16-13(8-25-18)12-6-4-5-7-15(12)23-19(16)22/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyWRSVBMLTGQDHMN-UHFFFAOYSA-N
XLogP5.19
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide (CID 1231734) is 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide is CCc1c(C(=O)Nc2scc3c2c(=O)oc2ccccc23)csc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide?
The InChIKey is WRSVBMLTGQDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S2/c1-3-11-10(2)24-9-14(11)17(21)20-18-16-13(8-25-18)12-6-4-5-7-15(12)23-19(16)22/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide?
4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(4-oxothieno[3,4-c]chromen-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 1231734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).