N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide

C17H15F2NO2S — CID 166301711

IUPACN-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NC1CCc2cc(F)c(F)cc21
InChIInChI=1S/C17H15F2NO2S/c18-12-8-10-3-4-14(11(10)9-13(12)19)20-17(22)6-5-15(21)16-2-1-7-23-16/h1-2,7-9,14H,3-6H2,(H,20,22)
InChIKeyJCANFNCIEUPOSR-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.79
Rot. Bonds5

About N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide

N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 166301711) has the molecular formula C17H15F2NO2S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID166301711
Molecular FormulaC17H15F2NO2S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NC1CCc2cc(F)c(F)cc21
InChIInChI=1S/C17H15F2NO2S/c18-12-8-10-3-4-14(11(10)9-13(12)19)20-17(22)6-5-15(21)16-2-1-7-23-16/h1-2,7-9,14H,3-6H2,(H,20,22)
InChIKeyJCANFNCIEUPOSR-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide (CID 166301711) is N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NC1CCc2cc(F)c(F)cc21.
What is the InChIKey of N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is JCANFNCIEUPOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2S/c18-12-8-10-3-4-14(11(10)9-13(12)19)20-17(22)6-5-15(21)16-2-1-7-23-16/h1-2,7-9,14H,3-6H2,(H,20,22).
What are the key properties of N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 335.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 166301711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).