2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide

C19H20Cl2N2O2S — CID 55854945

IUPAC2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C19H20Cl2N2O2S/c20-15-3-6-17(21)18(11-15)25-13-19(24)22-12-14-1-4-16(5-2-14)23-7-9-26-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24)
InChIKeyMGXKWZQZJQQZFR-UHFFFAOYSA-N
MW411.35 g/mol
LogP4.24
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide

2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide (PubChem CID 55854945) has the molecular formula C19H20Cl2N2O2S and a molecular weight of 411.35 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
PubChem CID55854945
Molecular FormulaC19H20Cl2N2O2S
Molecular Weight411.35 g/mol
Exact Mass410.06
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C19H20Cl2N2O2S/c20-15-3-6-17(21)18(11-15)25-13-19(24)22-12-14-1-4-16(5-2-14)23-7-9-26-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24)
InChIKeyMGXKWZQZJQQZFR-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 35616684
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 37481539
2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
CID 60521599
2-(2,5-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 46665376
2-(2,5-dichlorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2588764
2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742632
(4-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 66632617
2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735799
2-(4-pyrrol-1-ylphenyl)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854175
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 46443063
2-(2,4-dichlorophenoxy)-N-[3-(4-morpholin-4-ylphenyl)propyl]acetamide
CID 16890044
4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
CID 60521527

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide (CID 55854945) is 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide is O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(N2CCSCC2)cc1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is MGXKWZQZJQQZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2S/c20-15-3-6-17(21)18(11-15)25-13-19(24)22-12-14-1-4-16(5-2-14)23-7-9-26-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 411.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 55854945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).