(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

C14H21NO2S — CID 113246004

IUPAC(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCCCC(C)(O)CNC(=O)/C=C/c1ccc(C)s1
InChIInChI=1S/C14H21NO2S/c1-4-9-14(3,17)10-15-13(16)8-7-12-6-5-11(2)18-12/h5-8,17H,4,9-10H2,1-3H3,(H,15,16)/b8-7+
InChIKeyFYJUEMRVKLMSMD-BQYQJAHWSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds6

About (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 113246004) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID113246004
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCCCC(C)(O)CNC(=O)/C=C/c1ccc(C)s1
InChIInChI=1S/C14H21NO2S/c1-4-9-14(3,17)10-15-13(16)8-7-12-6-5-11(2)18-12/h5-8,17H,4,9-10H2,1-3H3,(H,15,16)/b8-7+
InChIKeyFYJUEMRVKLMSMD-BQYQJAHWSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103840093
(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
CID 103712889
(E)-N-(2-hydroxy-2-methylpentyl)-3-(3-methylphenyl)prop-2-enamide
CID 103713336
(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713244
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 115612726
(E)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 30888923
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 40728169
(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-(5-methylthiophen-2-yl)prop-2-enamide
CID 103820584
methyl 3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate
CID 47109403
N-(3-hydroxy-2-methylpropyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77055780

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 113246004) is (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is CCCC(C)(O)CNC(=O)/C=C/c1ccc(C)s1.
What is the InChIKey of (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is FYJUEMRVKLMSMD-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-9-14(3,17)10-15-13(16)8-7-12-6-5-11(2)18-12/h5-8,17H,4,9-10H2,1-3H3,(H,15,16)/b8-7+.
What are the key properties of (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 267.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 113246004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).