(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide

C15H15NOS — CID 51191800

IUPAC(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
SMILESCc1cccc(C)c1NC(=O)/C=C/c1ccsc1
InChIInChI=1S/C15H15NOS/c1-11-4-3-5-12(2)15(11)16-14(17)7-6-13-8-9-18-10-13/h3-10H,1-2H3,(H,16,17)/b7-6+
InChIKeyFVJKDVFCVYBEAL-VOTSOKGWSA-N
MW257.36 g/mol
LogP4.02
Rot. Bonds3

About (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide

(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 51191800) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID51191800
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
SMILESCc1cccc(C)c1NC(=O)/C=C/c1ccsc1
InChIInChI=1S/C15H15NOS/c1-11-4-3-5-12(2)15(11)16-14(17)7-6-13-8-9-18-10-13/h3-10H,1-2H3,(H,16,17)/b7-6+
InChIKeyFVJKDVFCVYBEAL-VOTSOKGWSA-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'}

Analyze (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30267608
(E)-N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26894403
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30268790
(E)-N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 71810505
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 51145488
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8568189
(E)-N-(2-methyl-6-propan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1352164
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide (CID 51191800) is (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide is Cc1cccc(C)c1NC(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is FVJKDVFCVYBEAL-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-4-3-5-12(2)15(11)16-14(17)7-6-13-8-9-18-10-13/h3-10H,1-2H3,(H,16,17)/b7-6+.
What are the key properties of (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide?
(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-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 (E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 51191800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).