(E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide

C9H7Cl4NOS — CID 118037754

IUPAC(E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C9H7Cl4NOS/c10-8(9(11,12)13)14-7(15)4-3-6-2-1-5-16-6/h1-5,8H,(H,14,15)/b4-3+
InChIKeyUTKNBIUBKOWPDO-ONEGZZNKSA-N
MW319.04 g/mol
LogP3.81
Rot. Bonds3

About (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 118037754) has the molecular formula C9H7Cl4NOS and a molecular weight of 319.04 g/mol. Its IUPAC name is (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID118037754
Molecular FormulaC9H7Cl4NOS
Molecular Weight319.04 g/mol
Exact Mass316.90
IUPAC Name(E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C9H7Cl4NOS/c10-8(9(11,12)13)14-7(15)4-3-6-2-1-5-16-6/h1-5,8H,(H,14,15)/b4-3+
InChIKeyUTKNBIUBKOWPDO-ONEGZZNKSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.04
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-thiophen-2-ylprop-2-enamide
CID 114177469
(E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 102673578
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 8759799
CID 59090948
CID 59090948
(E)-N-pent-4-yn-2-yl-3-thiophen-2-ylprop-2-enamide
CID 115661838
N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
CID 18776403
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
methyl (2R)-3-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate
CID 2369783
(2S)-5-methoxy-5-oxo-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoic acid
CID 107820470
methyl (2R)-4-methyl-2-(3-thiophen-2-ylprop-2-enoylamino)pentanoate
CID 91536082
(2S)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]hexanoic acid
CID 93031840
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide (CID 118037754) is (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is UTKNBIUBKOWPDO-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H7Cl4NOS/c10-8(9(11,12)13)14-7(15)4-3-6-2-1-5-16-6/h1-5,8H,(H,14,15)/b4-3+.
What are the key properties of (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 319.04 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 118037754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).