(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

C20H16FNOS — CID 18277303

IUPAC(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(F)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H16FNOS/c1-14-7-8-16(21)13-18(14)22-20(23)12-10-17-9-11-19(24-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)/b12-10+
InChIKeyPDYRZILLNBNERT-ZRDIBKRKSA-N
MW337.42 g/mol
LogP5.51
Rot. Bonds4

About (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 18277303) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID18277303
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC Name(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(F)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H16FNOS/c1-14-7-8-16(21)13-18(14)22-20(23)12-10-17-9-11-19(24-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)/b12-10+
InChIKeyPDYRZILLNBNERT-ZRDIBKRKSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.51
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

(E)-N-(2,4-dimethylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667814
2-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoylamino]-N-methylbenzamide
CID 76855623
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582
(E)-N-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2683620
(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
CID 24608443
(E)-N-(4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667979
4-methyl-3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 43239577
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689
methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
CID 113220269
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 33310642

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 18277303) is (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is Cc1ccc(F)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)s1.
What is the InChIKey of (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is PDYRZILLNBNERT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H16FNOS/c1-14-7-8-16(21)13-18(14)22-20(23)12-10-17-9-11-19(24-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)/b12-10+.
What are the key properties of (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 18277303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).