3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide

C15H24N2O3S — CID 103919297

IUPAC3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCCCCCCO)c1cccs1
InChIInChI=1S/C15H24N2O3S/c1-12(19)17-13(14-7-6-10-21-14)11-15(20)16-8-4-2-3-5-9-18/h6-7,10,13,18H,2-5,8-9,11H2,1H3,(H,16,20)(H,17,19)
InChIKeyDRZOGQUKTBIRNI-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.98
Rot. Bonds10

About 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide (PubChem CID 103919297) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
PubChem CID103919297
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCCCCCCO)c1cccs1
InChIInChI=1S/C15H24N2O3S/c1-12(19)17-13(14-7-6-10-21-14)11-15(20)16-8-4-2-3-5-9-18/h6-7,10,13,18H,2-5,8-9,11H2,1H3,(H,16,20)(H,17,19)
InChIKeyDRZOGQUKTBIRNI-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
CID 107300399
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
(2S)-4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-hydroxybutanoic acid
CID 107833913
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide
CID 46690393
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
1-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449898
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
(2S)-2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4-hydroxybutanoic acid
CID 107821614

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide (CID 103919297) is 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCCCCCCO)c1cccs1.
What is the InChIKey of 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide?
The InChIKey is DRZOGQUKTBIRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(19)17-13(14-7-6-10-21-14)11-15(20)16-8-4-2-3-5-9-18/h6-7,10,13,18H,2-5,8-9,11H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide has a molecular weight of 312.43 g/mol, XLogP of 1.98, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 103919297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).