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

C14H21NOS — CID 115612726

IUPAC(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCCC(CC)CNC(=O)/C=C/c1ccc(C)s1
InChIInChI=1S/C14H21NOS/c1-4-12(5-2)10-15-14(16)9-8-13-7-6-11(3)17-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)/b9-8+
InChIKeyUOKCJKUVQNPOQR-CMDGGOBGSA-N
MW251.40 g/mol
LogP3.62
Rot. Bonds6

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

(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 115612726) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID115612726
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCCC(CC)CNC(=O)/C=C/c1ccc(C)s1
InChIInChI=1S/C14H21NOS/c1-4-12(5-2)10-15-14(16)9-8-13-7-6-11(3)17-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)/b9-8+
InChIKeyUOKCJKUVQNPOQR-CMDGGOBGSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-ethylbutyl)-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-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103820584
(E)-N-(3-methyl-2-propan-2-ylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 102914905
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-(2-ethylbutyl)-3-(2-methylphenyl)prop-2-enamide
CID 115612706
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 40728169
(E)-N-(2-ethylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 113232022
methyl 3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate
CID 47109403
(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113246004
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9022616
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
(E)-N-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427455

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 115612726) is (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is CCC(CC)CNC(=O)/C=C/c1ccc(C)s1.
What is the InChIKey of (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is UOKCJKUVQNPOQR-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-12(5-2)10-15-14(16)9-8-13-7-6-11(3)17-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)/b9-8+.
What are the key properties of (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 251.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 115612726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).