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

C15H15NOS — CID 868674

IUPACN-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2cccs2)c1C
InChIInChI=1S/C15H15NOS/c1-11-5-3-7-14(12(11)2)16-15(17)9-8-13-6-4-10-18-13/h3-10H,1-2H3,(H,16,17)
InChIKeyRVPJOUWQGRIQPX-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.02
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 868674) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID868674
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2cccs2)c1C
InChIInChI=1S/C15H15NOS/c1-11-5-3-7-14(12(11)2)16-15(17)9-8-13-6-4-10-18-13/h3-10H,1-2H3,(H,16,17)
InChIKeyRVPJOUWQGRIQPX-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

(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
N-(2-methyl-3-nitrophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922905
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
N-(2-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 699898
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 868674) is N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide is Cc1cccc(NC(=O)C=Cc2cccs2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RVPJOUWQGRIQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-5-3-7-14(12(11)2)16-15(17)9-8-13-6-4-10-18-13/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide?
N-(2,3-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-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 868674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).