N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C21H16F3NOS — CID 46082792

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C21H16F3NOS/c22-21(23,24)15-6-3-5-14(12-15)18-10-11-19(27-18)20(26)25-17-9-8-13-4-1-2-7-16(13)17/h1-7,10-12,17H,8-9H2,(H,25,26)
InChIKeyFSQRVIFFNGVCGL-UHFFFAOYSA-N
MW387.43 g/mol
LogP5.85
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 46082792) has the molecular formula C21H16F3NOS and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID46082792
Molecular FormulaC21H16F3NOS
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C21H16F3NOS/c22-21(23,24)15-6-3-5-14(12-15)18-10-11-19(27-18)20(26)25-17-9-8-13-4-1-2-7-16(13)17/h1-7,10-12,17H,8-9H2,(H,25,26)
InChIKeyFSQRVIFFNGVCGL-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 46082792) is N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(NC1CCc2ccccc21)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is FSQRVIFFNGVCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NOS/c22-21(23,24)15-6-3-5-14(12-15)18-10-11-19(27-18)20(26)25-17-9-8-13-4-1-2-7-16(13)17/h1-7,10-12,17H,8-9H2,(H,25,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46082792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).