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

C14H12ClNOS — CID 7789534

IUPAC(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C14H12ClNOS/c1-10-5-6-13(18-10)7-8-14(17)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H,16,17)/b8-7+
InChIKeySBFJHTFVSAMWEZ-BQYQJAHWSA-N
MW277.78 g/mol
LogP4.36
Rot. Bonds3

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

(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 7789534) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID7789534
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C14H12ClNOS/c1-10-5-6-13(18-10)7-8-14(17)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H,16,17)/b8-7+
InChIKeySBFJHTFVSAMWEZ-BQYQJAHWSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.36
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-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
(E)-1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 8858055
(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 24610674
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789521
(E)-N-(3-chlorophenyl)-3-(5-pyridin-2-ylsulfanylthiophen-2-yl)prop-2-enamide
CID 176948586
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
2-fluoro-4-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791514
(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 9403990
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 71624111
3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide
CID 55767322

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 7789534) is (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is SBFJHTFVSAMWEZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12ClNOS/c1-10-5-6-13(18-10)7-8-14(17)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H,16,17)/b8-7+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 277.78 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 7789534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).