2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide

C17H19FN2O4S — CID 11748895

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide
SMILESCC(C(=O)NOCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H19FN2O4S/c1-12(17(21)19-24-11-13-6-4-3-5-7-13)14-8-9-16(15(18)10-14)20-25(2,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeySVHLVDCWHKBOIB-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.55
Rot. Bonds7

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide (PubChem CID 11748895) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide
PubChem CID11748895
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide
SMILESCC(C(=O)NOCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H19FN2O4S/c1-12(17(21)19-24-11-13-6-4-3-5-7-13)14-8-9-16(15(18)10-14)20-25(2,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeySVHLVDCWHKBOIB-UHFFFAOYSA-N
XLogP2.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide (CID 11748895) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide is CC(C(=O)NOCc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide?
The InChIKey is SVHLVDCWHKBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12(17(21)19-24-11-13-6-4-3-5-7-13)14-8-9-16(15(18)10-14)20-25(2,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide has a molecular weight of 366.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-phenylmethoxypropanamide is sourced from PubChem (CID 11748895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).