N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide

C13H21NO2S — CID 79204774

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
SMILESCc1cc(C(C)NC(=O)CCC(C)O)c(C)s1
InChIInChI=1S/C13H21NO2S/c1-8(15)5-6-13(16)14-10(3)12-7-9(2)17-11(12)4/h7-8,10,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyMFJKPHPSROCUCI-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.70
Rot. Bonds5

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide (PubChem CID 79204774) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
PubChem CID79204774
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
SMILESCc1cc(C(C)NC(=O)CCC(C)O)c(C)s1
InChIInChI=1S/C13H21NO2S/c1-8(15)5-6-13(16)14-10(3)12-7-9(2)17-11(12)4/h7-8,10,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyMFJKPHPSROCUCI-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
CID 107908544
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75514559
2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569421
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75439947
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 79473033
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936594
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 54910487
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide
CID 86931458

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide (CID 79204774) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide is Cc1cc(C(C)NC(=O)CCC(C)O)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide?
The InChIKey is MFJKPHPSROCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-8(15)5-6-13(16)14-10(3)12-7-9(2)17-11(12)4/h7-8,10,15H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide has a molecular weight of 255.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide is sourced from PubChem (CID 79204774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).