5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C19H23FN2O5S — CID 3239348

IUPAC5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C19H23FN2O5S/c20-17-4-2-1-3-15(17)13-28(24,25)14-16-5-6-18(27-16)19(23)21-7-8-22-9-11-26-12-10-22/h1-6H,7-14H2,(H,21,23)
InChIKeyLLUDAIUXCBIYIA-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.60
Rot. Bonds8

About 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 3239348) has the molecular formula C19H23FN2O5S and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID3239348
Molecular FormulaC19H23FN2O5S
Molecular Weight410.47 g/mol
Exact Mass410.13
IUPAC Name5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C19H23FN2O5S/c20-17-4-2-1-3-15(17)13-28(24,25)14-16-5-6-18(27-16)19(23)21-7-8-22-9-11-26-12-10-22/h1-6H,7-14H2,(H,21,23)
InChIKeyLLUDAIUXCBIYIA-UHFFFAOYSA-N
XLogP1.60
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 3239348) is 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is LLUDAIUXCBIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O5S/c20-17-4-2-1-3-15(17)13-28(24,25)14-16-5-6-18(27-16)19(23)21-7-8-22-9-11-26-12-10-22/h1-6H,7-14H2,(H,21,23).
What are the key properties of 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 3239348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).