3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide

C18H20FNO3S — CID 4565570

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCc1ccccc1
InChIInChI=1S/C18H20FNO3S/c19-17-9-5-4-8-16(17)14-24(22,23)13-11-18(21)20-12-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21)
InChIKeyLBVLXLCXDKQEFJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.49
Rot. Bonds8

About 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide

3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide (PubChem CID 4565570) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
PubChem CID4565570
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCc1ccccc1
InChIInChI=1S/C18H20FNO3S/c19-17-9-5-4-8-16(17)14-24(22,23)13-11-18(21)20-12-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21)
InChIKeyLBVLXLCXDKQEFJ-UHFFFAOYSA-N
XLogP2.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide (CID 4565570) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCCc1ccccc1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
The InChIKey is LBVLXLCXDKQEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-17-9-5-4-8-16(17)14-24(22,23)13-11-18(21)20-12-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 4565570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).