(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide

C10H13NOS — CID 81409323

IUPAC(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
SMILESC/C=C/C(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C10H13NOS/c1-3-5-10(12)11-8(2)9-6-4-7-13-9/h3-8H,1-2H3,(H,11,12)/b5-3+/t8-/m0/s1
InChIKeyAXISNWAQEZQSJR-WGAJWPLOSA-N
MW195.29 g/mol
LogP2.50
Rot. Bonds3

About (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide

(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide (PubChem CID 81409323) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
PubChem CID81409323
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
SMILESC/C=C/C(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C10H13NOS/c1-3-5-10(12)11-8(2)9-6-4-7-13-9/h3-8H,1-2H3,(H,11,12)/b5-3+/t8-/m0/s1
InChIKeyAXISNWAQEZQSJR-WGAJWPLOSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.50
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

N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
methyl 3-(but-2-enoylamino)-3-thiophen-2-ylpropanoate
CID 112723868
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
CID 112726739
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
CID 39435422
N-[(1R)-1-phenylethyl]but-2-enamide
CID 778457
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
(E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 26310956
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid
CID 62639758
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide (CID 81409323) is (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide is C/C=C/C(=O)N[C@@H](C)c1cccs1.
What is the InChIKey of (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide?
The InChIKey is AXISNWAQEZQSJR-WGAJWPLOSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-5-10(12)11-8(2)9-6-4-7-13-9/h3-8H,1-2H3,(H,11,12)/b5-3+/t8-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide?
(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide has a molecular weight of 195.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide is sourced from PubChem (CID 81409323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).