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

C16H23FN2O4S — CID 4148315

IUPAC3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCN1CCOCC1
InChIInChI=1S/C16H23FN2O4S/c17-15-4-2-1-3-14(15)13-24(21,22)12-5-16(20)18-6-7-19-8-10-23-11-9-19/h1-4H,5-13H2,(H,18,20)
InChIKeyZPKBTFDJWXXNPI-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.58
Rot. Bonds8

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

3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 4148315) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID4148315
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCN1CCOCC1
InChIInChI=1S/C16H23FN2O4S/c17-15-4-2-1-3-14(15)13-24(21,22)12-5-16(20)18-6-7-19-8-10-23-11-9-19/h1-4H,5-13H2,(H,18,20)
InChIKeyZPKBTFDJWXXNPI-UHFFFAOYSA-N
XLogP0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide (CID 4148315) is 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCCN1CCOCC1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is ZPKBTFDJWXXNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c17-15-4-2-1-3-14(15)13-24(21,22)12-5-16(20)18-6-7-19-8-10-23-11-9-19/h1-4H,5-13H2,(H,18,20).
What are the key properties of 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 4148315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).