N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide

C16H22FNO4S — CID 3301317

IUPACN-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide
SMILESCCC=CCC(=O)N(c1ccc(OC)c(F)c1)S(=O)(=O)CCC
InChIInChI=1S/C16H22FNO4S/c1-4-6-7-8-16(19)18(23(20,21)11-5-2)13-9-10-15(22-3)14(17)12-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyLXOJWYSROKUZNA-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.26
Rot. Bonds8

About N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide

N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide (PubChem CID 3301317) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide
PubChem CID3301317
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide
SMILESCCC=CCC(=O)N(c1ccc(OC)c(F)c1)S(=O)(=O)CCC
InChIInChI=1S/C16H22FNO4S/c1-4-6-7-8-16(19)18(23(20,21)11-5-2)13-9-10-15(22-3)14(17)12-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyLXOJWYSROKUZNA-UHFFFAOYSA-N
XLogP3.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide (CID 3301317) is N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide is CCC=CCC(=O)N(c1ccc(OC)c(F)c1)S(=O)(=O)CCC.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide?
The InChIKey is LXOJWYSROKUZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c1-4-6-7-8-16(19)18(23(20,21)11-5-2)13-9-10-15(22-3)14(17)12-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide?
N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide has a molecular weight of 343.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide is sourced from PubChem (CID 3301317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).