N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide

C15H15NOS — CID 922899

IUPACN-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(C)cc(NC(=O)C=Cc2cccs2)c1
InChIInChI=1S/C15H15NOS/c1-11-8-12(2)10-13(9-11)16-15(17)6-5-14-4-3-7-18-14/h3-10H,1-2H3,(H,16,17)
InChIKeyGTZWVGDNXSWDJF-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.02
Rot. Bonds3

About N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide

N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 922899) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID922899
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(C)cc(NC(=O)C=Cc2cccs2)c1
InChIInChI=1S/C15H15NOS/c1-11-8-12(2)10-13(9-11)16-15(17)6-5-14-4-3-7-18-14/h3-10H,1-2H3,(H,16,17)
InChIKeyGTZWVGDNXSWDJF-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.02
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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Related Compounds

(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 16525871
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 922899) is N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide is Cc1cc(C)cc(NC(=O)C=Cc2cccs2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is GTZWVGDNXSWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-8-12(2)10-13(9-11)16-15(17)6-5-14-4-3-7-18-14/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 257.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 922899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).