(E)-3-ethoxy-N-phenylprop-2-enethioamide

C11H13NOS — CID 84820403

IUPAC(E)-3-ethoxy-N-phenylprop-2-enethioamide
SMILESCCO/C=C/C(=S)Nc1ccccc1
InChIInChI=1S/C11H13NOS/c1-2-13-9-8-11(14)12-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,12,14)/b9-8+
InChIKeyLOCBTHYSTJKLBE-CMDGGOBGSA-N
MW207.30 g/mol
LogP2.98
Rot. Bonds4

About (E)-3-ethoxy-N-phenylprop-2-enethioamide

(E)-3-ethoxy-N-phenylprop-2-enethioamide (PubChem CID 84820403) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (E)-3-ethoxy-N-phenylprop-2-enethioamide.

Molecular Properties

Compound Name(E)-3-ethoxy-N-phenylprop-2-enethioamide
PubChem CID84820403
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(E)-3-ethoxy-N-phenylprop-2-enethioamide
SMILESCCO/C=C/C(=S)Nc1ccccc1
InChIInChI=1S/C11H13NOS/c1-2-13-9-8-11(14)12-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,12,14)/b9-8+
InChIKeyLOCBTHYSTJKLBE-CMDGGOBGSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (E)-3-ethoxy-N-phenylprop-2-enethioamide 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)-3-hydroxy-N-phenylprop-2-enethioamide
CID 137263718
(Z)-3-hydroxy-N-phenylbut-2-enethioamide
CID 137168826
2-ethoxyethenyl(diphenyl)silane
CID 154125643
N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide
CID 22892049
3-(benzenesulfonyl)-N-phenylprop-2-enethioamide
CID 173141348
1-diethoxyphosphoryl-N-phenylmethanethioamide
CID 14508989
3-anilino-3-ethoxyprop-2-enenitrile
CID 130012976
(E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide
CID 155272474
(E)-3-(methylamino)-N-phenylbut-2-enethioamide
CID 13010912
4-ethoxy-N-phenylbutanamide
CID 112728021
1-(3-ethoxyphenyl)-3-phenylthiourea
CID 3249532
1-(methylamino)-3-phenylthiourea
CID 13456646

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethoxy-N-phenylprop-2-enethioamide?
The IUPAC name of (E)-3-ethoxy-N-phenylprop-2-enethioamide (CID 84820403) is (E)-3-ethoxy-N-phenylprop-2-enethioamide.
What is the SMILES notation for (E)-3-ethoxy-N-phenylprop-2-enethioamide?
The canonical SMILES for (E)-3-ethoxy-N-phenylprop-2-enethioamide is CCO/C=C/C(=S)Nc1ccccc1.
What is the InChIKey of (E)-3-ethoxy-N-phenylprop-2-enethioamide?
The InChIKey is LOCBTHYSTJKLBE-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-13-9-8-11(14)12-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,12,14)/b9-8+.
What are the key properties of (E)-3-ethoxy-N-phenylprop-2-enethioamide?
(E)-3-ethoxy-N-phenylprop-2-enethioamide has a molecular weight of 207.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethoxy-N-phenylprop-2-enethioamide is sourced from PubChem (CID 84820403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).