3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide

C14H22N2O3S — CID 107300399

IUPAC3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCCCC(C)O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-10(17)5-3-7-15-14(19)9-12(16-11(2)18)13-6-4-8-20-13/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeySNSMJUNRZLGTPH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.59
Rot. Bonds8

About 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide (PubChem CID 107300399) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
PubChem CID107300399
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCCCC(C)O)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-10(17)5-3-7-15-14(19)9-12(16-11(2)18)13-6-4-8-20-13/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeySNSMJUNRZLGTPH-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.59
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-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
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-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
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-(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]butanoic acid
CID 43360839
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide (CID 107300399) is 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCCCC(C)O)c1cccs1.
What is the InChIKey of 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide?
The InChIKey is SNSMJUNRZLGTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(17)5-3-7-15-14(19)9-12(16-11(2)18)13-6-4-8-20-13/h4,6,8,10,12,17H,3,5,7,9H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 107300399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).