N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide

C15H20FNO3S — CID 56790112

IUPACN-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N(CCc1cccc(F)c1)C1CC1
InChIInChI=1S/C15H20FNO3S/c1-21(19,20)10-8-15(18)17(14-5-6-14)9-7-12-3-2-4-13(16)11-12/h2-4,11,14H,5-10H2,1H3
InChIKeyHRPXGDMVUMKSTD-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.79
Rot. Bonds7

About N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide

N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide (PubChem CID 56790112) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide
PubChem CID56790112
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)N(CCc1cccc(F)c1)C1CC1
InChIInChI=1S/C15H20FNO3S/c1-21(19,20)10-8-15(18)17(14-5-6-14)9-7-12-3-2-4-13(16)11-12/h2-4,11,14H,5-10H2,1H3
InChIKeyHRPXGDMVUMKSTD-UHFFFAOYSA-N
XLogP1.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide (CID 56790112) is N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)N(CCc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide?
The InChIKey is HRPXGDMVUMKSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-21(19,20)10-8-15(18)17(14-5-6-14)9-7-12-3-2-4-13(16)11-12/h2-4,11,14H,5-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide?
N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide has a molecular weight of 313.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 56790112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).