3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide

C13H18N2O2S — CID 114618717

IUPAC3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
SMILESC=C(C)CNC(=O)CC(NC(C)=O)c1cccs1
InChIInChI=1S/C13H18N2O2S/c1-9(2)8-14-13(17)7-11(15-10(3)16)12-5-4-6-18-12/h4-6,11H,1,7-8H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyIRXIPDVYCBLJMZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.01
Rot. Bonds6

About 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide (PubChem CID 114618717) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
PubChem CID114618717
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
SMILESC=C(C)CNC(=O)CC(NC(C)=O)c1cccs1
InChIInChI=1S/C13H18N2O2S/c1-9(2)8-14-13(17)7-11(15-10(3)16)12-5-4-6-18-12/h4-6,11H,1,7-8H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyIRXIPDVYCBLJMZ-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
(2S)-4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-hydroxybutanoic acid
CID 107833913
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
CID 107300399
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
1-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449898

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide (CID 114618717) is 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide is C=C(C)CNC(=O)CC(NC(C)=O)c1cccs1.
What is the InChIKey of 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide?
The InChIKey is IRXIPDVYCBLJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)8-14-13(17)7-11(15-10(3)16)12-5-4-6-18-12/h4-6,11H,1,7-8H2,2-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 114618717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).