N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide

C15H25NO2S — CID 139886064

IUPACN-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide
SMILESCCC(CC)(NC(=O)C(C)c1ccc(C)s1)C(C)O
InChIInChI=1S/C15H25NO2S/c1-6-15(7-2,12(5)17)16-14(18)11(4)13-9-8-10(3)19-13/h8-9,11-12,17H,6-7H2,1-5H3,(H,16,18)
InChIKeyLTLHSJFDEHFRMG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.22
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide

N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide (PubChem CID 139886064) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide
PubChem CID139886064
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide
SMILESCCC(CC)(NC(=O)C(C)c1ccc(C)s1)C(C)O
InChIInChI=1S/C15H25NO2S/c1-6-15(7-2,12(5)17)16-14(18)11(4)13-9-8-10(3)19-13/h8-9,11-12,17H,6-7H2,1-5H3,(H,16,18)
InChIKeyLTLHSJFDEHFRMG-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide (CID 139886064) is N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide is CCC(CC)(NC(=O)C(C)c1ccc(C)s1)C(C)O.
What is the InChIKey of N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide?
The InChIKey is LTLHSJFDEHFRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-15(7-2,12(5)17)16-14(18)11(4)13-9-8-10(3)19-13/h8-9,11-12,17H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide?
N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide has a molecular weight of 283.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentan-3-yl)-2-(5-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 139886064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).