(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide

C18H21NO2S — CID 6235211

IUPAC(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C18H21NO2S/c1-14(2)11-12-21-16-7-5-15(6-8-16)19-18(20)10-9-17-4-3-13-22-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)/b10-9+
InChIKeyGKZVBKANDOTVJE-MDZDMXLPSA-N
MW315.44 g/mol
LogP4.82
Rot. Bonds7

About (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6235211) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6235211
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C18H21NO2S/c1-14(2)11-12-21-16-7-5-15(6-8-16)19-18(20)10-9-17-4-3-13-22-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)/b10-9+
InChIKeyGKZVBKANDOTVJE-MDZDMXLPSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-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-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6235210
3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4949705
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4958307
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
(E)-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-3-thiophen-2-ylprop-2-enamide
CID 39231083

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 6235211) is (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide is CC(C)CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is GKZVBKANDOTVJE-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(2)11-12-21-16-7-5-15(6-8-16)19-18(20)10-9-17-4-3-13-22-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 315.44 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6235211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).