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

C19H12F3NO2S — CID 12004904

IUPACN-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C19H12F3NO2S/c20-19(21,22)12-4-3-5-13(9-12)23-18(24)16-8-11-10-25-15-7-2-1-6-14(15)17(11)26-16/h1-9H,10H2,(H,23,24)
InChIKeyHNRAIPZDCJHOHR-UHFFFAOYSA-N
MW375.37 g/mol
LogP5.58
Rot. Bonds2

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

N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 12004904) has the molecular formula C19H12F3NO2S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID12004904
Molecular FormulaC19H12F3NO2S
Molecular Weight375.37 g/mol
Exact Mass375.05
IUPAC NameN-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C19H12F3NO2S/c20-19(21,22)12-4-3-5-13(9-12)23-18(24)16-8-11-10-25-15-7-2-1-6-14(15)17(11)26-16/h1-9H,10H2,(H,23,24)
InChIKeyHNRAIPZDCJHOHR-UHFFFAOYSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.37
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 12004904) is N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is HNRAIPZDCJHOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO2S/c20-19(21,22)12-4-3-5-13(9-12)23-18(24)16-8-11-10-25-15-7-2-1-6-14(15)17(11)26-16/h1-9H,10H2,(H,23,24).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 375.37 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 12004904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).