N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide

C18H21FN2O2S — CID 122501530

IUPACN-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)Cc2cc(-c3ccc(F)cc3)ncc2O1
InChIInChI=1S/C18H21FN2O2S/c1-17(2,3)24(22)21-18(4)10-13-9-15(20-11-16(13)23-18)12-5-7-14(19)8-6-12/h5-9,11,21H,10H2,1-4H3
InChIKeyXWJBIQHICRBWMB-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.59
Rot. Bonds3

About N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide

N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 122501530) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID122501530
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)Cc2cc(-c3ccc(F)cc3)ncc2O1
InChIInChI=1S/C18H21FN2O2S/c1-17(2,3)24(22)21-18(4)10-13-9-15(20-11-16(13)23-18)12-5-7-14(19)8-6-12/h5-9,11,21H,10H2,1-4H3
InChIKeyXWJBIQHICRBWMB-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide (CID 122501530) is N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide is CC1(NS(=O)C(C)(C)C)Cc2cc(-c3ccc(F)cc3)ncc2O1.
What is the InChIKey of N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is XWJBIQHICRBWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-17(2,3)24(22)21-18(4)10-13-9-15(20-11-16(13)23-18)12-5-7-14(19)8-6-12/h5-9,11,21H,10H2,1-4H3.
What are the key properties of N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide?
N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 348.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-2-methyl-3H-furo[2,3-c]pyridin-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 122501530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).