3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide

C9H10ClNOS — CID 68673304

IUPAC3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccc(Cl)s1
InChIInChI=1S/C9H10ClNOS/c1-11(2)9(12)6-4-7-3-5-8(10)13-7/h3-6H,1-2H3
InChIKeyDQWIPJAFWHTIDC-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.50
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide

3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide (PubChem CID 68673304) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide
PubChem CID68673304
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC Name3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccc(Cl)s1
InChIInChI=1S/C9H10ClNOS/c1-11(2)9(12)6-4-7-3-5-8(10)13-7/h3-6H,1-2H3
InChIKeyDQWIPJAFWHTIDC-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.50
H-Bond Donors ≤ 50
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,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 23111612
(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide
CID 141094454
(E)-N,N-dimethyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 60651841
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78865538
5-[(5-Chloro-2-thienyl)methylene]-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one
CID 1812883
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2186377
3-Sec-butyl-5-[(5-chloro-2-thienyl)methylene]-1,3-thiazolidine-2,4-dione
CID 5735840
(E)-5-((5-chlorothiophen-2-yl)methylene)-3-(prop-2-yn-1-yl)thiazolidine-2,4-dione
CID 5797274
5-chloro-N,N-dimethylthiophene-2-carboxamide
CID 20483679
3-(5-Chlorothiophen-2-yl)-1-piperazin-1-ylprop-2-en-1-one
CID 54501897
N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 68535214
3-(2,5-dichlorothiophen-3-yl)-N,N-dimethylprop-2-enamide
CID 69899043

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide (CID 68673304) is 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)C=Cc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is DQWIPJAFWHTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-11(2)9(12)6-4-7-3-5-8(10)13-7/h3-6H,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide?
3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 215.71 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 68673304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).