N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide

C20H17FN2O2S — CID 45193689

IUPACN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1
InChIInChI=1S/C20H17FN2O2S/c1-12-5-7-26-19(12)20(24)23-11-15-9-13-8-14(21)10-16(18(13)25-15)17-4-2-3-6-22-17/h2-8,10,15H,9,11H2,1H3,(H,23,24)
InChIKeyXGNYRXRUJLVDLB-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.99
Rot. Bonds4

About N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide

N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 45193689) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID45193689
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1
InChIInChI=1S/C20H17FN2O2S/c1-12-5-7-26-19(12)20(24)23-11-15-9-13-8-14(21)10-16(18(13)25-15)17-4-2-3-6-22-17/h2-8,10,15H,9,11H2,1H3,(H,23,24)
InChIKeyXGNYRXRUJLVDLB-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide (CID 45193689) is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1.
What is the InChIKey of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is XGNYRXRUJLVDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-12-5-7-26-19(12)20(24)23-11-15-9-13-8-14(21)10-16(18(13)25-15)17-4-2-3-6-22-17/h2-8,10,15H,9,11H2,1H3,(H,23,24).
What are the key properties of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide?
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 45193689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).