3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide

C11H16N2O2S — CID 47137622

IUPAC3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
SMILESCCNC(=O)CC(NC(C)=O)c1cccs1
InChIInChI=1S/C11H16N2O2S/c1-3-12-11(15)7-9(13-8(2)14)10-5-4-6-16-10/h4-6,9H,3,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyPVTFLASKWAOYMZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.45
Rot. Bonds5

About 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide

3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide (PubChem CID 47137622) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
PubChem CID47137622
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
SMILESCCNC(=O)CC(NC(C)=O)c1cccs1
InChIInChI=1S/C11H16N2O2S/c1-3-12-11(15)7-9(13-8(2)14)10-5-4-6-16-10/h4-6,9H,3,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyPVTFLASKWAOYMZ-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide
CID 46593487
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
CID 107300399
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
(2S)-4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-hydroxybutanoic acid
CID 107833913
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide (CID 47137622) is 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide is CCNC(=O)CC(NC(C)=O)c1cccs1.
What is the InChIKey of 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide?
The InChIKey is PVTFLASKWAOYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-12-11(15)7-9(13-8(2)14)10-5-4-6-16-10/h4-6,9H,3,7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide?
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide has a molecular weight of 240.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 47137622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).