N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

C17H25FN2O4S — CID 113137965

IUPACN-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCc1ccccc1F)CC1CCCO1
InChIInChI=1S/C17H25FN2O4S/c1-25(22,23)20(13-15-6-4-12-24-15)11-9-17(21)19-10-8-14-5-2-3-7-16(14)18/h2-3,5,7,15H,4,6,8-13H2,1H3,(H,19,21)
InChIKeyMGCQFTLEFLAODI-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.32
Rot. Bonds9

About N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (PubChem CID 113137965) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
PubChem CID113137965
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCc1ccccc1F)CC1CCCO1
InChIInChI=1S/C17H25FN2O4S/c1-25(22,23)20(13-15-6-4-12-24-15)11-9-17(21)19-10-8-14-5-2-3-7-16(14)18/h2-3,5,7,15H,4,6,8-13H2,1H3,(H,19,21)
InChIKeyMGCQFTLEFLAODI-UHFFFAOYSA-N
XLogP1.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (CID 113137965) is N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NCCc1ccccc1F)CC1CCCO1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The InChIKey is MGCQFTLEFLAODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-25(22,23)20(13-15-6-4-12-24-15)11-9-17(21)19-10-8-14-5-2-3-7-16(14)18/h2-3,5,7,15H,4,6,8-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide has a molecular weight of 372.46 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113137965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).