3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide

C12H18N2O4S — CID 66174989

IUPAC3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCC(O)CO)c1cccs1
InChIInChI=1S/C12H18N2O4S/c1-8(16)14-10(11-3-2-4-19-11)5-12(18)13-6-9(17)7-15/h2-4,9-10,15,17H,5-7H2,1H3,(H,13,18)(H,14,16)
InChIKeyIUAIFDJBHWOYJO-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.22
Rot. Bonds7

About 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide (PubChem CID 66174989) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
PubChem CID66174989
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCC(O)CO)c1cccs1
InChIInChI=1S/C12H18N2O4S/c1-8(16)14-10(11-3-2-4-19-11)5-12(18)13-6-9(17)7-15/h2-4,9-10,15,17H,5-7H2,1H3,(H,13,18)(H,14,16)
InChIKeyIUAIFDJBHWOYJO-UHFFFAOYSA-N
XLogP-0.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 29418275
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
(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
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide (CID 66174989) is 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCC(O)CO)c1cccs1.
What is the InChIKey of 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide?
The InChIKey is IUAIFDJBHWOYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(16)14-10(11-3-2-4-19-11)5-12(18)13-6-9(17)7-15/h2-4,9-10,15,17H,5-7H2,1H3,(H,13,18)(H,14,16).
What are the key properties of 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide has a molecular weight of 286.35 g/mol, XLogP of -0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 66174989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).