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

C22H21ClFN3O5S — CID 648457

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H21ClFN3O5S/c23-17-5-9-20(10-6-17)33(30,31)26-13-22(29)27(14-19-2-1-11-32-19)15-21(28)25-12-16-3-7-18(24)8-4-16/h1-11,26H,12-15H2,(H,25,28)
InChIKeyIBYRURJDGBACIA-UHFFFAOYSA-N
MW493.94 g/mol
LogP2.70
Rot. Bonds10

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

2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 648457) has the molecular formula C22H21ClFN3O5S and a molecular weight of 493.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID648457
Molecular FormulaC22H21ClFN3O5S
Molecular Weight493.94 g/mol
Exact Mass493.09
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H21ClFN3O5S/c23-17-5-9-20(10-6-17)33(30,31)26-13-22(29)27(14-19-2-1-11-32-19)15-21(28)25-12-16-3-7-18(24)8-4-16/h1-11,26H,12-15H2,(H,25,28)
InChIKeyIBYRURJDGBACIA-UHFFFAOYSA-N
XLogP2.70
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.94
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide (CID 648457) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide is O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IBYRURJDGBACIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O5S/c23-17-5-9-20(10-6-17)33(30,31)26-13-22(29)27(14-19-2-1-11-32-19)15-21(28)25-12-16-3-7-18(24)8-4-16/h1-11,26H,12-15H2,(H,25,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 493.94 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 648457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).