N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide

C19H16FNO3S — CID 2047970

IUPACN-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
SMILESO=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)C(=O)c1cccs1
InChIInChI=1S/C19H16FNO3S/c20-14-7-5-13(6-8-14)15(16-3-1-11-24-16)9-10-21-19(23)18(22)17-4-2-12-25-17/h1-8,11-12,15H,9-10H2,(H,21,23)/t15-/m1/s1
InChIKeySMFJRFBHYNZKES-OAHLLOKOSA-N
MW357.41 g/mol
LogP4.00
Rot. Bonds7

About N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide

N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide (PubChem CID 2047970) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
PubChem CID2047970
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC NameN-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
SMILESO=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)C(=O)c1cccs1
InChIInChI=1S/C19H16FNO3S/c20-14-7-5-13(6-8-14)15(16-3-1-11-24-16)9-10-21-19(23)18(22)17-4-2-12-25-17/h1-8,11-12,15H,9-10H2,(H,21,23)/t15-/m1/s1
InChIKeySMFJRFBHYNZKES-OAHLLOKOSA-N
XLogP4.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide 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-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4553376
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
CID 6935403
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7643235
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7643237
2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]acetamide
CID 124847066
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70742905
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 2022429
(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 948883
3-(furan-2-yl)-3-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 3366871
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 126854749

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide (CID 2047970) is N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide is O=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)C(=O)c1cccs1.
What is the InChIKey of N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide?
The InChIKey is SMFJRFBHYNZKES-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16FNO3S/c20-14-7-5-13(6-8-14)15(16-3-1-11-24-16)9-10-21-19(23)18(22)17-4-2-12-25-17/h1-8,11-12,15H,9-10H2,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide?
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide has a molecular weight of 357.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2047970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).