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

C22H25F2N3O5S — CID 3207013

IUPACN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H25F2N3O5S/c23-17-5-3-16(4-6-17)12-25-21(28)15-27(14-19-2-1-11-32-19)22(29)13-26-33(30,31)20-9-7-18(24)8-10-20/h3-10,19,26H,1-2,11-15H2,(H,25,28)
InChIKeyOKMKXOVCFMZEST-UHFFFAOYSA-N
MW481.52 g/mol
LogP1.57
Rot. Bonds10

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

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3207013) has the molecular formula C22H25F2N3O5S and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3207013
Molecular FormulaC22H25F2N3O5S
Molecular Weight481.52 g/mol
Exact Mass481.15
IUPAC NameN-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C22H25F2N3O5S/c23-17-5-3-16(4-6-17)12-25-21(28)15-27(14-19-2-1-11-32-19)22(29)13-26-33(30,31)20-9-7-18(24)8-10-20/h3-10,19,26H,1-2,11-15H2,(H,25,28)
InChIKeyOKMKXOVCFMZEST-UHFFFAOYSA-N
XLogP1.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 3207013) is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OKMKXOVCFMZEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O5S/c23-17-5-3-16(4-6-17)12-25-21(28)15-27(14-19-2-1-11-32-19)22(29)13-26-33(30,31)20-9-7-18(24)8-10-20/h3-10,19,26H,1-2,11-15H2,(H,25,28).
What are the key properties of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 481.52 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-fluorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3207013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).