3-acetamido-N-(thiophen-2-ylmethyl)propanamide

C10H14N2O2S — CID 47099194

IUPAC3-acetamido-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(=O)NCCC(=O)NCc1cccs1
InChIInChI=1S/C10H14N2O2S/c1-8(13)11-5-4-10(14)12-7-9-3-2-6-15-9/h2-3,6H,4-5,7H2,1H3,(H,11,13)(H,12,14)
InChIKeyQRAJQDUQMUYHBH-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.89
Rot. Bonds5

About 3-acetamido-N-(thiophen-2-ylmethyl)propanamide

3-acetamido-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 47099194) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-acetamido-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(thiophen-2-ylmethyl)propanamide
PubChem CID47099194
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-acetamido-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(=O)NCCC(=O)NCc1cccs1
InChIInChI=1S/C10H14N2O2S/c1-8(13)11-5-4-10(14)12-7-9-3-2-6-15-9/h2-3,6H,4-5,7H2,1H3,(H,11,13)(H,12,14)
InChIKeyQRAJQDUQMUYHBH-UHFFFAOYSA-N
XLogP0.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
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3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
CID 39769052

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-acetamido-N-(thiophen-2-ylmethyl)propanamide (CID 47099194) is 3-acetamido-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-acetamido-N-(thiophen-2-ylmethyl)propanamide is CC(=O)NCCC(=O)NCc1cccs1.
What is the InChIKey of 3-acetamido-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is QRAJQDUQMUYHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8(13)11-5-4-10(14)12-7-9-3-2-6-15-9/h2-3,6H,4-5,7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 3-acetamido-N-(thiophen-2-ylmethyl)propanamide?
3-acetamido-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 226.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 47099194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).