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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Chlorophenyl)-N-Methyl-4h-Thieno[3,2-C]chromene-2-Carboxamide
CID 20877907
(4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 7411867
N-(2,4-difluorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
CID 44242493
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 676067
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
CID 1218554
N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 6623094
[4-(2-methoxyphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 8087250
N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 12004789
N-ethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 15987618
N-(2-methoxyphenyl)-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16008761
N-(4-acetylphenyl)-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16008908
N-(2,5-dimethylphenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010242

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).