(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

C15H23NO2S — CID 103820584

IUPAC(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCCCC(CCO)CNC(=O)/C=C/c1ccc(C)s1
InChIInChI=1S/C15H23NO2S/c1-3-4-13(9-10-17)11-16-15(18)8-7-14-6-5-12(2)19-14/h5-8,13,17H,3-4,9-11H2,1-2H3,(H,16,18)/b8-7+
InChIKeyFVIDUMSNBIZWNM-BQYQJAHWSA-N
MW281.42 g/mol
LogP2.98
Rot. Bonds8

About (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 103820584) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID103820584
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCCCC(CCO)CNC(=O)/C=C/c1ccc(C)s1
InChIInChI=1S/C15H23NO2S/c1-3-4-13(9-10-17)11-16-15(18)8-7-14-6-5-12(2)19-14/h5-8,13,17H,3-4,9-11H2,1-2H3,(H,16,18)/b8-7+
InChIKeyFVIDUMSNBIZWNM-BQYQJAHWSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 115612726
N-(3-hydroxy-2-methylpropyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77055780
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
(E)-N-(3-methyl-2-propan-2-ylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 102914905
(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 103773009
(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113246004
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 40728169
methyl 3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate
CID 47109403
(E)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103944452
(E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide
CID 9182749
4-methyl-2-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 43091779
(E)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 30888923

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 103820584) is (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide is CCCC(CCO)CNC(=O)/C=C/c1ccc(C)s1.
What is the InChIKey of (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is FVIDUMSNBIZWNM-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-4-13(9-10-17)11-16-15(18)8-7-14-6-5-12(2)19-14/h5-8,13,17H,3-4,9-11H2,1-2H3,(H,16,18)/b8-7+.
What are the key properties of (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 281.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 103820584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).