(E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide

C17H19NOS — CID 46613262

IUPAC(E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide
SMILESCC(C)C(NC(=O)/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C17H19NOS/c1-13(2)17(15-9-6-12-20-15)18-16(19)11-10-14-7-4-3-5-8-14/h3-13,17H,1-2H3,(H,18,19)/b11-10+
InChIKeyYNASZIPPUAPGDT-ZHACJKMWSA-N
MW285.41 g/mol
LogP4.27
Rot. Bonds5

About (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide

(E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide (PubChem CID 46613262) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide
PubChem CID46613262
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide
SMILESCC(C)C(NC(=O)/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C17H19NOS/c1-13(2)17(15-9-6-12-20-15)18-16(19)11-10-14-7-4-3-5-8-14/h3-13,17H,1-2H3,(H,18,19)/b11-10+
InChIKeyYNASZIPPUAPGDT-ZHACJKMWSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.27
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-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9144010
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
(2R)-3-methyl-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79011095
3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 6078411
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 8853725
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284148

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide (CID 46613262) is (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide is CC(C)C(NC(=O)/C=C/c1ccccc1)c1cccs1.
What is the InChIKey of (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide?
The InChIKey is YNASZIPPUAPGDT-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13(2)17(15-9-6-12-20-15)18-16(19)11-10-14-7-4-3-5-8-14/h3-13,17H,1-2H3,(H,18,19)/b11-10+.
What are the key properties of (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide?
(E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide has a molecular weight of 285.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-1-thiophen-2-ylpropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 46613262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).