(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide

C14H18FNO2S — CID 95621354

IUPAC(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide
SMILESC/C(=C/C(=O)NCCC[S@@](C)=O)c1cccc(F)c1
InChIInChI=1S/C14H18FNO2S/c1-11(12-5-3-6-13(15)10-12)9-14(17)16-7-4-8-19(2)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17)/b11-9-/t19-/m1/s1
InChIKeyNOQIGQCLJWAXPD-ZMOVQZPESA-N
MW283.37 g/mol
LogP2.11
Rot. Bonds6

About (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide

(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide (PubChem CID 95621354) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide
PubChem CID95621354
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide
SMILESC/C(=C/C(=O)NCCC[S@@](C)=O)c1cccc(F)c1
InChIInChI=1S/C14H18FNO2S/c1-11(12-5-3-6-13(15)10-12)9-14(17)16-7-4-8-19(2)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17)/b11-9-/t19-/m1/s1
InChIKeyNOQIGQCLJWAXPD-ZMOVQZPESA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide
CID 110022218
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide
CID 111539632
(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
CID 86950457
N-[2-(3-fluorophenyl)ethyl]-3-methylbut-2-enamide
CID 127125179
3-(3-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]but-2-enamide
CID 111484871
3-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]but-2-enamide
CID 111697749
(Z)-3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]but-2-enamide
CID 111481361
2-bromo-6-fluoro-N-(3-methylsulfinylpropyl)benzamide
CID 115679027
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
[4-(3-fluorophenyl)-4-oxobutyl]carbamic acid
CID 151142544
(Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide
CID 51135585

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide?
The IUPAC name of (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide (CID 95621354) is (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide is C/C(=C/C(=O)NCCC[S@@](C)=O)c1cccc(F)c1.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide?
The InChIKey is NOQIGQCLJWAXPD-ZMOVQZPESA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-11(12-5-3-6-13(15)10-12)9-14(17)16-7-4-8-19(2)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17)/b11-9-/t19-/m1/s1.
What are the key properties of (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide?
(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide is sourced from PubChem (CID 95621354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).