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

C20H22Cl2N2O2S — CID 60521599

IUPAC2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C20H22Cl2N2O2S/c1-14(26-19-7-4-16(21)12-18(19)22)20(25)23-13-15-2-5-17(6-3-15)24-8-10-27-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyOIZXZDZHAURHKO-UHFFFAOYSA-N
MW425.38 g/mol
LogP4.63
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide (PubChem CID 60521599) has the molecular formula C20H22Cl2N2O2S and a molecular weight of 425.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
PubChem CID60521599
Molecular FormulaC20H22Cl2N2O2S
Molecular Weight425.38 g/mol
Exact Mass424.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C20H22Cl2N2O2S/c1-14(26-19-7-4-16(21)12-18(19)22)20(25)23-13-15-2-5-17(6-3-15)24-8-10-27-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)
InChIKeyOIZXZDZHAURHKO-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 54.63
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-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
CID 144509414
2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736187
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
CID 60535283
2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854945
(2S)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675494
(2R)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675493
N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
CID 71229586
2-(2-bromo-4-chlorophenoxy)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
CID 55664257
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 1293927

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide (CID 60521599) is 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N2CCSCC2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is OIZXZDZHAURHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2S/c1-14(26-19-7-4-16(21)12-18(19)22)20(25)23-13-15-2-5-17(6-3-15)24-8-10-27-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 425.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 60521599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).