(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide

C15H15ClN2OS — CID 55336540

IUPAC(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C15H15ClN2OS/c1-18(2)14-7-5-11(16)10-13(14)17-15(19)8-6-12-4-3-9-20-12/h3-10H,1-2H3,(H,17,19)/b8-6+
InChIKeyVFORJXBAYSTZNO-SOFGYWHQSA-N
MW306.82 g/mol
LogP4.12
Rot. Bonds4

About (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 55336540) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID55336540
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C15H15ClN2OS/c1-18(2)14-7-5-11(16)10-13(14)17-15(19)8-6-12-4-3-9-20-12/h3-10H,1-2H3,(H,17,19)/b8-6+
InChIKeyVFORJXBAYSTZNO-SOFGYWHQSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.12
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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Related Compounds

(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 22306140
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 16546991
(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 2101513
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
(4E)-N-[5-chloro-2-(dimethylamino)phenyl]hexa-2,4-dienamide
CID 78844634
(E)-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6234868
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
methyl 4-chloro-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 8909985
4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922928

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 55336540) is (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide is CN(C)c1ccc(Cl)cc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is VFORJXBAYSTZNO-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-18(2)14-7-5-11(16)10-13(14)17-15(19)8-6-12-4-3-9-20-12/h3-10H,1-2H3,(H,17,19)/b8-6+.
What are the key properties of (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 306.82 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-chloro-2-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 55336540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).