(E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide

C12H11NOS2 — CID 845127

IUPAC(E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCc1cccs1
InChIInChI=1S/C12H11NOS2/c14-12(6-5-10-3-1-7-15-10)13-9-11-4-2-8-16-11/h1-8H,9H2,(H,13,14)/b6-5+
InChIKeyKKLOXBBIDCBBRI-AATRIKPKSA-N
MW249.36 g/mol
LogP3.14
Rot. Bonds4

About (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 845127) has the molecular formula C12H11NOS2 and a molecular weight of 249.36 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID845127
Molecular FormulaC12H11NOS2
Molecular Weight249.36 g/mol
Exact Mass249.03
IUPAC Name(E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCc1cccs1
InChIInChI=1S/C12H11NOS2/c14-12(6-5-10-3-1-7-15-10)13-9-11-4-2-8-16-11/h1-8H,9H2,(H,13,14)/b6-5+
InChIKeyKKLOXBBIDCBBRI-AATRIKPKSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 845127) is (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1cccs1)NCc1cccs1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is KKLOXBBIDCBBRI-AATRIKPKSA-N. The full InChI is InChI=1S/C12H11NOS2/c14-12(6-5-10-3-1-7-15-10)13-9-11-4-2-8-16-11/h1-8H,9H2,(H,13,14)/b6-5+.
What are the key properties of (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 249.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 845127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).