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

C23H28FN3O6S — CID 649746

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FN3O6S/c1-32-19-8-4-17(5-9-19)13-25-22(28)16-27(15-20-3-2-12-33-20)23(29)14-26-34(30,31)21-10-6-18(24)7-11-21/h4-11,20,26H,2-3,12-16H2,1H3,(H,25,28)
InChIKeyFMAPPZWRMBYTPP-UHFFFAOYSA-N
MW493.56 g/mol
LogP1.44
Rot. Bonds11

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

2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 649746) has the molecular formula C23H28FN3O6S and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID649746
Molecular FormulaC23H28FN3O6S
Molecular Weight493.56 g/mol
Exact Mass493.17
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H28FN3O6S/c1-32-19-8-4-17(5-9-19)13-25-22(28)16-27(15-20-3-2-12-33-20)23(29)14-26-34(30,31)21-10-6-18(24)7-11-21/h4-11,20,26H,2-3,12-16H2,1H3,(H,25,28)
InChIKeyFMAPPZWRMBYTPP-UHFFFAOYSA-N
XLogP1.44
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 649746) is 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FMAPPZWRMBYTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O6S/c1-32-19-8-4-17(5-9-19)13-25-22(28)16-27(15-20-3-2-12-33-20)23(29)14-26-34(30,31)21-10-6-18(24)7-11-21/h4-11,20,26H,2-3,12-16H2,1H3,(H,25,28).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 493.56 g/mol, XLogP of 1.44, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 649746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).