(E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide

C14H13NOS — CID 127033015

IUPAC(E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide
SMILESC/C(=C\c1cc(-c2ccccc2)cs1)C(N)=O
InChIInChI=1S/C14H13NOS/c1-10(14(15)16)7-13-8-12(9-17-13)11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16)/b10-7+
InChIKeyQICLZURPVIFMMJ-JXMROGBWSA-N
MW243.33 g/mol
LogP3.30
Rot. Bonds3

About (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide

(E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 127033015) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide
PubChem CID127033015
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name(E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide
SMILESC/C(=C\c1cc(-c2ccccc2)cs1)C(N)=O
InChIInChI=1S/C14H13NOS/c1-10(14(15)16)7-13-8-12(9-17-13)11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16)/b10-7+
InChIKeyQICLZURPVIFMMJ-JXMROGBWSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide (CID 127033015) is (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide is C/C(=C\c1cc(-c2ccccc2)cs1)C(N)=O.
What is the InChIKey of (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is QICLZURPVIFMMJ-JXMROGBWSA-N. The full InChI is InChI=1S/C14H13NOS/c1-10(14(15)16)7-13-8-12(9-17-13)11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16)/b10-7+.
What are the key properties of (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide?
(E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 243.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(4-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 127033015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).