2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide

C22H22FN3O5S — CID 650385

IUPAC2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O5S/c23-18-10-8-17(9-11-18)13-24-21(27)16-26(15-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-12,25H,13-16H2,(H,24,27)
InChIKeyAUSQUBXWIVSYBE-UHFFFAOYSA-N
MW459.50 g/mol
LogP2.04
Rot. Bonds10

About 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide

2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 650385) has the molecular formula C22H22FN3O5S and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID650385
Molecular FormulaC22H22FN3O5S
Molecular Weight459.50 g/mol
Exact Mass459.13
IUPAC Name2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O5S/c23-18-10-8-17(9-11-18)13-24-21(27)16-26(15-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-12,25H,13-16H2,(H,24,27)
InChIKeyAUSQUBXWIVSYBE-UHFFFAOYSA-N
XLogP2.04
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide (CID 650385) is 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide is O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AUSQUBXWIVSYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5S/c23-18-10-8-17(9-11-18)13-24-21(27)16-26(15-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-12,25H,13-16H2,(H,24,27).
What are the key properties of 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 459.50 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 650385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).