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

C22H28FN3O4S — CID 25162842

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H28FN3O4S/c1-17-2-8-20(9-3-17)31(28,29)25-11-10-22(27)24-16-21(26-12-14-30-15-13-26)18-4-6-19(23)7-5-18/h2-9,21,25H,10-16H2,1H3,(H,24,27)
InChIKeyOLIYNBKALVJYIK-UHFFFAOYSA-N
MW449.55 g/mol
LogP1.99
Rot. Bonds9

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

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 25162842) has the molecular formula C22H28FN3O4S and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID25162842
Molecular FormulaC22H28FN3O4S
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H28FN3O4S/c1-17-2-8-20(9-3-17)31(28,29)25-11-10-22(27)24-16-21(26-12-14-30-15-13-26)18-4-6-19(23)7-5-18/h2-9,21,25H,10-16H2,1H3,(H,24,27)
InChIKeyOLIYNBKALVJYIK-UHFFFAOYSA-N
XLogP1.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 51.99
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)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 25162842) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is OLIYNBKALVJYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S/c1-17-2-8-20(9-3-17)31(28,29)25-11-10-22(27)24-16-21(26-12-14-30-15-13-26)18-4-6-19(23)7-5-18/h2-9,21,25H,10-16H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 449.55 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 25162842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).