2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide

C20H18N4O3S — CID 46411607

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C20H18N4O3S/c1-2-26-18-10-14(12-21)6-7-17(18)27-13-19(25)23-15-4-3-5-16(11-15)24-9-8-22-20(24)28/h3-11H,2,13H2,1H3,(H,22,28)(H,23,25)
InChIKeyRHXVTHZAVYQBRV-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.82
Rot. Bonds7

About 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide (PubChem CID 46411607) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
PubChem CID46411607
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C20H18N4O3S/c1-2-26-18-10-14(12-21)6-7-17(18)27-13-19(25)23-15-4-3-5-16(11-15)24-9-8-22-20(24)28/h3-11H,2,13H2,1H3,(H,22,28)(H,23,25)
InChIKeyRHXVTHZAVYQBRV-UHFFFAOYSA-N
XLogP3.82
TPSA92.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide 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

2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9355977
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 46417263
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 46421737
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272266
2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 7993287
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698502
N-(2-chloro-3-pyridinyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7992846
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide
CID 27006212

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide (CID 46411607) is 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
The InChIKey is RHXVTHZAVYQBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-2-26-18-10-14(12-21)6-7-17(18)27-13-19(25)23-15-4-3-5-16(11-15)24-9-8-22-20(24)28/h3-11H,2,13H2,1H3,(H,22,28)(H,23,25).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide has a molecular weight of 394.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 46411607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).