1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine

C16H15FN2O3S2 — CID 68922463

IUPAC1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccoc2C)s1
InChIInChI=1S/C16H15FN2O3S2/c1-10-14(5-7-22-10)24(20,21)16-13(8-11(23-16)9-18-2)12-4-3-6-19-15(12)17/h3-8,18H,9H2,1-2H3
InChIKeyPIUSZOXZILDUOJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.40
Rot. Bonds5

About 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine

1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine (PubChem CID 68922463) has the molecular formula C16H15FN2O3S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
PubChem CID68922463
Molecular FormulaC16H15FN2O3S2
Molecular Weight366.44 g/mol
Exact Mass366.05
IUPAC Name1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccoc2C)s1
InChIInChI=1S/C16H15FN2O3S2/c1-10-14(5-7-22-10)24(20,21)16-13(8-11(23-16)9-18-2)12-4-3-6-19-15(12)17/h3-8,18H,9H2,1-2H3
InChIKeyPIUSZOXZILDUOJ-UHFFFAOYSA-N
XLogP3.40
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine (CID 68922463) is 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccoc2C)s1.
What is the InChIKey of 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is PIUSZOXZILDUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S2/c1-10-14(5-7-22-10)24(20,21)16-13(8-11(23-16)9-18-2)12-4-3-6-19-15(12)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine?
1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 366.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfonylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 68922463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).