2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C22H25ClFN3O5S — CID 3207104

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C22H25ClFN3O5S/c23-17-5-9-20(10-6-17)33(30,31)26-13-22(29)27(14-16-3-7-18(24)8-4-16)15-21(28)25-12-19-2-1-11-32-19/h3-10,19,26H,1-2,11-15H2,(H,25,28)
InChIKeyZQQMKGOXLJUARN-UHFFFAOYSA-N
MW497.98 g/mol
LogP2.08
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3207104) has the molecular formula C22H25ClFN3O5S and a molecular weight of 497.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3207104
Molecular FormulaC22H25ClFN3O5S
Molecular Weight497.98 g/mol
Exact Mass497.12
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C22H25ClFN3O5S/c23-17-5-9-20(10-6-17)33(30,31)26-13-22(29)27(14-16-3-7-18(24)8-4-16)15-21(28)25-12-19-2-1-11-32-19/h3-10,19,26H,1-2,11-15H2,(H,25,28)
InChIKeyZQQMKGOXLJUARN-UHFFFAOYSA-N
XLogP2.08
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3207104) is 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is O=C(CN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is ZQQMKGOXLJUARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O5S/c23-17-5-9-20(10-6-17)33(30,31)26-13-22(29)27(14-16-3-7-18(24)8-4-16)15-21(28)25-12-19-2-1-11-32-19/h3-10,19,26H,1-2,11-15H2,(H,25,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 497.98 g/mol, XLogP of 2.08, 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-[(4-fluorophenyl)methyl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3207104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).