2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide

C32H28N2O5S — CID 19544600

IUPAC2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1cc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)ccc1OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C32H28N2O5S/c1-3-38-29-18-21(13-16-28(29)39-20-32(36)34-23-8-4-6-10-27(23)37-2)12-15-26(35)22-14-17-31-25(19-22)33-24-9-5-7-11-30(24)40-31/h4-19,33H,3,20H2,1-2H3,(H,34,36)/b15-12+
InChIKeyXNACZQUCIYDKOP-NTCAYCPXSA-N
MW552.65 g/mol
LogP7.22
Rot. Bonds10

About 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide

2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 19544600) has the molecular formula C32H28N2O5S and a molecular weight of 552.65 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID19544600
Molecular FormulaC32H28N2O5S
Molecular Weight552.65 g/mol
Exact Mass552.17
IUPAC Name2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1cc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)ccc1OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C32H28N2O5S/c1-3-38-29-18-21(13-16-28(29)39-20-32(36)34-23-8-4-6-10-27(23)37-2)12-15-26(35)22-14-17-31-25(19-22)33-24-9-5-7-11-30(24)40-31/h4-19,33H,3,20H2,1-2H3,(H,34,36)/b15-12+
InChIKeyXNACZQUCIYDKOP-NTCAYCPXSA-N
XLogP7.22
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.65
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)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-[(E)-3-[3-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 19542758
2-[4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 19562908
N-(2-chlorophenyl)-2-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetamide
CID 27112870
(E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
CID 19544512
2-[2-ethoxy-4-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-phenylacetamide
CID 19567092
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 19562910
(E)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
CID 19544447
2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 19556804
2-[2-methoxy-4-[(E)-3-(2-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 19562713
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
2-[2-ethoxy-4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19560745

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide (CID 19544600) is 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide is CCOc1cc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)ccc1OCC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is XNACZQUCIYDKOP-NTCAYCPXSA-N. The full InChI is InChI=1S/C32H28N2O5S/c1-3-38-29-18-21(13-16-28(29)39-20-32(36)34-23-8-4-6-10-27(23)37-2)12-15-26(35)22-14-17-31-25(19-22)33-24-9-5-7-11-30(24)40-31/h4-19,33H,3,20H2,1-2H3,(H,34,36)/b15-12+.
What are the key properties of 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 552.65 g/mol, XLogP of 7.22, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(E)-3-oxo-3-(10H-phenothiazin-2-yl)prop-1-enyl]phenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 19544600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).