N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide

C20H17FN2O2S — CID 45212299

IUPACN-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1Cc2c(F)ccc(-c3ccncc3)c2O1
InChIInChI=1S/C20H17FN2O2S/c21-18-2-1-16(14-3-6-22-7-4-14)20-17(18)10-15(25-20)11-23-19(24)9-13-5-8-26-12-13/h1-8,12,15H,9-11H2,(H,23,24)
InChIKeyQNBUKWIXHVYRFD-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.61
Rot. Bonds5

About N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide

N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 45212299) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide
PubChem CID45212299
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC1Cc2c(F)ccc(-c3ccncc3)c2O1
InChIInChI=1S/C20H17FN2O2S/c21-18-2-1-16(14-3-6-22-7-4-14)20-17(18)10-15(25-20)11-23-19(24)9-13-5-8-26-12-13/h1-8,12,15H,9-11H2,(H,23,24)
InChIKeyQNBUKWIXHVYRFD-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide (CID 45212299) is N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC1Cc2c(F)ccc(-c3ccncc3)c2O1.
What is the InChIKey of N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is QNBUKWIXHVYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-18-2-1-16(14-3-6-22-7-4-14)20-17(18)10-15(25-20)11-23-19(24)9-13-5-8-26-12-13/h1-8,12,15H,9-11H2,(H,23,24).
What are the key properties of N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide?
N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 368.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 45212299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).