N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C22H26FN3O5S — CID 3206940

IUPACN-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cccc(F)c2)cc1
InChIInChI=1S/C22H26FN3O5S/c1-16-7-9-20(10-8-16)32(29,30)25-14-22(28)26(18-5-2-4-17(23)12-18)15-21(27)24-13-19-6-3-11-31-19/h2,4-5,7-10,12,19,25H,3,6,11,13-15H2,1H3,(H,24,27)
InChIKeyFRZPHDZNDHHXQG-UHFFFAOYSA-N
MW463.53 g/mol
LogP1.74
Rot. Bonds9

About N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3206940) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3206940
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC NameN-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cccc(F)c2)cc1
InChIInChI=1S/C22H26FN3O5S/c1-16-7-9-20(10-8-16)32(29,30)25-14-22(28)26(18-5-2-4-17(23)12-18)15-21(27)24-13-19-6-3-11-31-19/h2,4-5,7-10,12,19,25H,3,6,11,13-15H2,1H3,(H,24,27)
InChIKeyFRZPHDZNDHHXQG-UHFFFAOYSA-N
XLogP1.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3206940) is N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is FRZPHDZNDHHXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-16-7-9-20(10-8-16)32(29,30)25-14-22(28)26(18-5-2-4-17(23)12-18)15-21(27)24-13-19-6-3-11-31-19/h2,4-5,7-10,12,19,25H,3,6,11,13-15H2,1H3,(H,24,27).
What are the key properties of N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 463.53 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3206940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).