N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide

C20H12F3NO3S — CID 15997027

IUPACN-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F3NO3S/c1-24(12-6-4-5-11(9-12)20(21,22)23)18(25)16-10-14-17(28-16)13-7-2-3-8-15(13)27-19(14)26/h2-10H,1H3
InChIKeyNKDCVPBMXZZJIV-UHFFFAOYSA-N
MW403.38 g/mol
LogP5.30
Rot. Bonds2

About N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide

N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide (PubChem CID 15997027) has the molecular formula C20H12F3NO3S and a molecular weight of 403.38 g/mol. Its IUPAC name is N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide
PubChem CID15997027
Molecular FormulaC20H12F3NO3S
Molecular Weight403.38 g/mol
Exact Mass403.05
IUPAC NameN-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide
SMILESCN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F3NO3S/c1-24(12-6-4-5-11(9-12)20(21,22)23)18(25)16-10-14-17(28-16)13-7-2-3-8-15(13)27-19(14)26/h2-10H,1H3
InChIKeyNKDCVPBMXZZJIV-UHFFFAOYSA-N
XLogP5.30
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.38
LogP ≤ 55.30
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-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide (CID 15997027) is N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide is CN(C(=O)c1cc2c(=O)oc3ccccc3c2s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is NKDCVPBMXZZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO3S/c1-24(12-6-4-5-11(9-12)20(21,22)23)18(25)16-10-14-17(28-16)13-7-2-3-8-15(13)27-19(14)26/h2-10H,1H3.
What are the key properties of N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide?
N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 403.38 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 15997027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).