(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide

C15H14FNOS — CID 9216038

IUPAC(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2sccc2C)cc1F
InChIInChI=1S/C15H14FNOS/c1-10-3-4-12(9-13(10)16)17-15(18)6-5-14-11(2)7-8-19-14/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKeySRMRTJLHCYLLLC-AATRIKPKSA-N
MW275.35 g/mol
LogP4.16
Rot. Bonds3

About (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide

(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide (PubChem CID 9216038) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
PubChem CID9216038
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2sccc2C)cc1F
InChIInChI=1S/C15H14FNOS/c1-10-3-4-12(9-13(10)16)17-15(18)6-5-14-11(2)7-8-19-14/h3-9H,1-2H3,(H,17,18)/b6-5+
InChIKeySRMRTJLHCYLLLC-AATRIKPKSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 5-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
CID 26695298
4-[3-(3-methylthiophen-2-yl)prop-2-enoylamino]pyridine-2-carboxylic acid
CID 77003478
(E)-3-(3-methylthiophen-2-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 9410959
N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 76872160
(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide
CID 142913478
ethyl 3-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate
CID 9228303
methyl 4-[(E)-3-(3-fluoro-4-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 26710628
N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide
CID 9415618
N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide
CID 84925586
(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60636518
(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide
CID 71492732
methyl 3-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 43013639

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide (CID 9216038) is (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2sccc2C)cc1F.
What is the InChIKey of (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is SRMRTJLHCYLLLC-AATRIKPKSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10-3-4-12(9-13(10)16)17-15(18)6-5-14-11(2)7-8-19-14/h3-9H,1-2H3,(H,17,18)/b6-5+.
What are the key properties of (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 275.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 9216038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).