(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide

C16H17NOS — CID 874188

IUPAC(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)c1ccccc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C16H17NOS/c1-12(2)14-7-3-4-8-15(14)17-16(18)10-9-13-6-5-11-19-13/h3-12H,1-2H3,(H,17,18)/b10-9+
InChIKeyXRJFUPHMMBGFOK-MDZDMXLPSA-N
MW271.38 g/mol
LogP4.52
Rot. Bonds4

About (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 874188) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID874188
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)c1ccccc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C16H17NOS/c1-12(2)14-7-3-4-8-15(14)17-16(18)10-9-13-6-5-11-19-13/h3-12H,1-2H3,(H,17,18)/b10-9+
InChIKeyXRJFUPHMMBGFOK-MDZDMXLPSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.52
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-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 18089963
N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 868674
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432
N-(2-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 699898
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234930
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 8759799
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 874188) is (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide is CC(C)c1ccccc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is XRJFUPHMMBGFOK-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12(2)14-7-3-4-8-15(14)17-16(18)10-9-13-6-5-11-19-13/h3-12H,1-2H3,(H,17,18)/b10-9+.
What are the key properties of (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 271.38 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 874188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).