2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide

C14H24N2O2S — CID 106434973

IUPAC2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCC(O)c1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-3-4-5-7-15-14(18)11(2)16-9-13(17)12-6-8-19-10-12/h6,8,10-11,13,16-17H,3-5,7,9H2,1-2H3,(H,15,18)
InChIKeyOZGVBCAPZIFRJA-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.07
Rot. Bonds9

About 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide (PubChem CID 106434973) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
PubChem CID106434973
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCC(O)c1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-3-4-5-7-15-14(18)11(2)16-9-13(17)12-6-8-19-10-12/h6,8,10-11,13,16-17H,3-5,7,9H2,1-2H3,(H,15,18)
InChIKeyOZGVBCAPZIFRJA-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.07
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

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide
CID 106434975
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106434972
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(4-methylsulfanylbutyl)urea
CID 111441096
6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
CID 103771643
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide?
The IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide (CID 106434973) is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NCC(O)c1ccsc1.
What is the InChIKey of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide?
The InChIKey is OZGVBCAPZIFRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-4-5-7-15-14(18)11(2)16-9-13(17)12-6-8-19-10-12/h6,8,10-11,13,16-17H,3-5,7,9H2,1-2H3,(H,15,18).
What are the key properties of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide?
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide has a molecular weight of 284.42 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 106434973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).