6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide

C14H22N2O3S — CID 103771643

IUPAC6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H22N2O3S/c1-11(17)15-7-4-2-3-5-14(19)16-9-13(18)12-6-8-20-10-12/h6,8,10,13,18H,2-5,7,9H2,1H3,(H,15,17)(H,16,19)
InChIKeyYIVMQJGYNPRCRM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.59
Rot. Bonds9

About 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide

6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide (PubChem CID 103771643) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
PubChem CID103771643
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H22N2O3S/c1-11(17)15-7-4-2-3-5-14(19)16-9-13(18)12-6-8-20-10-12/h6,8,10,13,18H,2-5,7,9H2,1H3,(H,15,17)(H,16,19)
InChIKeyYIVMQJGYNPRCRM-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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

3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(4-methylsulfanylbutyl)urea
CID 111441096
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 111441297
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
CID 106434973
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide?
The IUPAC name of 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide (CID 103771643) is 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide?
The canonical SMILES for 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide is CC(=O)NCCCCCC(=O)NCC(O)c1ccsc1.
What is the InChIKey of 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide?
The InChIKey is YIVMQJGYNPRCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(17)15-7-4-2-3-5-14(19)16-9-13(18)12-6-8-20-10-12/h6,8,10,13,18H,2-5,7,9H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide?
6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide has a molecular weight of 298.41 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide is sourced from PubChem (CID 103771643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).