(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide

C14H11ClFNOS — CID 24608443

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
SMILESCc1cc(F)ccc1NC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C14H11ClFNOS/c1-9-8-10(16)2-5-12(9)17-14(18)7-4-11-3-6-13(15)19-11/h2-8H,1H3,(H,17,18)/b7-4+
InChIKeyDOPQSCOIXATSBC-QPJJXVBHSA-N
MW295.77 g/mol
LogP4.50
Rot. Bonds3

About (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide (PubChem CID 24608443) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
PubChem CID24608443
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
SMILESCc1cc(F)ccc1NC(=O)/C=C/c1ccc(Cl)s1
InChIInChI=1S/C14H11ClFNOS/c1-9-8-10(16)2-5-12(9)17-14(18)7-4-11-3-6-13(15)19-11/h2-8H,1H3,(H,17,18)/b7-4+
InChIKeyDOPQSCOIXATSBC-QPJJXVBHSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.50
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-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 18277303
3-(1,3-benzothiazol-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
CID 4806053
(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 24610674
(E)-N-(2,4-dimethylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667814
(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
CID 26886374
(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789521
(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26239755
3-fluoro-4-[3-(5-methylthiophen-2-yl)prop-2-enoylamino]benzoic acid
CID 76988149
3-[3-(5-chlorothiophen-2-yl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037425
N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
3-(5-chlorothiophen-2-yl)-N-cyanoprop-2-enamide
CID 79194152

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide (CID 24608443) is (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide is Cc1cc(F)ccc1NC(=O)/C=C/c1ccc(Cl)s1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide?
The InChIKey is DOPQSCOIXATSBC-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c1-9-8-10(16)2-5-12(9)17-14(18)7-4-11-3-6-13(15)19-11/h2-8H,1H3,(H,17,18)/b7-4+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide has a molecular weight of 295.77 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 24608443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).