N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide

C11H15NO2S — CID 164672058

IUPACN-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide
SMILESC=C[C@@H](NC(C)=O)[C@@H](OC)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-4-9(12-8(2)13)11(14-3)10-6-5-7-15-10/h4-7,9,11H,1H2,2-3H3,(H,12,13)/t9-,11-/m1/s1
InChIKeyUTPGAGOIFBKEAV-MWLCHTKSSA-N
MW225.31 g/mol
LogP2.13
Rot. Bonds5

About N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide

N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide (PubChem CID 164672058) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide
PubChem CID164672058
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide
SMILESC=C[C@@H](NC(C)=O)[C@@H](OC)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-4-9(12-8(2)13)11(14-3)10-6-5-7-15-10/h4-7,9,11H,1H2,2-3H3,(H,12,13)/t9-,11-/m1/s1
InChIKeyUTPGAGOIFBKEAV-MWLCHTKSSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
methyl 2-acetyl-3-thiophen-2-ylpent-4-enoate
CID 146162095
[(1R,2R)-2-acetyloxy-1,2-dithiophen-2-ylethyl] acetate
CID 10710099
1-thiophen-2-ylprop-2-enyl hydrogen carbonate
CID 101142664
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
methyl 2-thiophen-2-ylpropanoate
CID 12819459
N-(3-amino-1,2-dithiophen-2-ylbutyl)acetamide
CID 57223769
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
1-methoxy-N-methyl-1-thiophen-2-ylmethanamine
CID 116961428
propan-2-yl 3-acetamido-3-thiophen-2-ylpropanoate
CID 112723428
methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide?
The IUPAC name of N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide (CID 164672058) is N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide is C=C[C@@H](NC(C)=O)[C@@H](OC)c1cccs1.
What is the InChIKey of N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide?
The InChIKey is UTPGAGOIFBKEAV-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-9(12-8(2)13)11(14-3)10-6-5-7-15-10/h4-7,9,11H,1H2,2-3H3,(H,12,13)/t9-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide?
N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide has a molecular weight of 225.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide is sourced from PubChem (CID 164672058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).