(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

C14H12FNOS — CID 7789521

IUPAC(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C14H12FNOS/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-9H,1H3,(H,16,17)/b9-8+
InChIKeyIXSFFEUBGABHRO-CMDGGOBGSA-N
MW261.32 g/mol
LogP3.85
Rot. Bonds3

About (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 7789521) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID7789521
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C14H12FNOS/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-9H,1H3,(H,16,17)/b9-8+
InChIKeyIXSFFEUBGABHRO-CMDGGOBGSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.85
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

2-[4-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]phenyl]acetic acid
CID 43242110
2-fluoro-4-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791514
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9428195
(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789534
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77020045
2-fluoro-6-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 43442781
3-fluoro-4-[3-(5-methylthiophen-2-yl)prop-2-enoylamino]benzoic acid
CID 76988149
(E)-2-cyano-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7515380
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 104619972
4-methyl-3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 43239577
(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
CID 24608443

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 7789521) is (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is IXSFFEUBGABHRO-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-9H,1H3,(H,16,17)/b9-8+.
What are the key properties of (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 7789521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).