N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide

C23H21NO3S — CID 15987620

IUPACN-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c1ccc(CC)cc1
InChIInChI=1S/C23H21NO3S/c1-3-13-24(16-11-9-15(4-2)10-12-16)22(25)20-14-18-21(28-20)17-7-5-6-8-19(17)27-23(18)26/h5-12,14H,3-4,13H2,1-2H3
InChIKeyZZGYJBKYMODRGT-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.63
Rot. Bonds5

About N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide

N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide (PubChem CID 15987620) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide
PubChem CID15987620
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC NameN-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c1ccc(CC)cc1
InChIInChI=1S/C23H21NO3S/c1-3-13-24(16-11-9-15(4-2)10-12-16)22(25)20-14-18-21(28-20)17-7-5-6-8-19(17)27-23(18)26/h5-12,14H,3-4,13H2,1-2H3
InChIKeyZZGYJBKYMODRGT-UHFFFAOYSA-N
XLogP5.63
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide (CID 15987620) is N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide is CCCN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c1ccc(CC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide?
The InChIKey is ZZGYJBKYMODRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-3-13-24(16-11-9-15(4-2)10-12-16)22(25)20-14-18-21(28-20)17-7-5-6-8-19(17)27-23(18)26/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide?
N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-oxo-N-propylthieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 15987620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).