3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

C23H30FN3O5S — CID 24978896

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C23H30FN3O5S/c1-2-32-20-7-9-21(10-8-20)33(29,30)26-12-11-23(28)25-17-22(27-13-15-31-16-14-27)18-3-5-19(24)6-4-18/h3-10,22,26H,2,11-17H2,1H3,(H,25,28)
InChIKeyPFNGMXQLANQETA-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.08
Rot. Bonds11

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 24978896) has the molecular formula C23H30FN3O5S and a molecular weight of 479.57 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID24978896
Molecular FormulaC23H30FN3O5S
Molecular Weight479.57 g/mol
Exact Mass479.19
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C23H30FN3O5S/c1-2-32-20-7-9-21(10-8-20)33(29,30)26-12-11-23(28)25-17-22(27-13-15-31-16-14-27)18-3-5-19(24)6-4-18/h3-10,22,26H,2,11-17H2,1H3,(H,25,28)
InChIKeyPFNGMXQLANQETA-UHFFFAOYSA-N
XLogP2.08
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (CID 24978896) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is PFNGMXQLANQETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O5S/c1-2-32-20-7-9-21(10-8-20)33(29,30)26-12-11-23(28)25-17-22(27-13-15-31-16-14-27)18-3-5-19(24)6-4-18/h3-10,22,26H,2,11-17H2,1H3,(H,25,28).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 479.57 g/mol, XLogP of 2.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 24978896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).