2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide

C18H19Cl2NO4S — CID 60535283

IUPAC2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H19Cl2NO4S/c1-12(25-17-8-7-15(19)9-16(17)20)18(22)21-10-13-3-5-14(6-4-13)11-26(2,23)24/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChIKeyULZGGRFLNAQEML-UHFFFAOYSA-N
MW416.33 g/mol
LogP3.62
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide

2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide (PubChem CID 60535283) has the molecular formula C18H19Cl2NO4S and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
PubChem CID60535283
Molecular FormulaC18H19Cl2NO4S
Molecular Weight416.33 g/mol
Exact Mass415.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H19Cl2NO4S/c1-12(25-17-8-7-15(19)9-16(17)20)18(22)21-10-13-3-5-14(6-4-13)11-26(2,23)24/h3-9,12H,10-11H2,1-2H3,(H,21,22)
InChIKeyULZGGRFLNAQEML-UHFFFAOYSA-N
XLogP3.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736187
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
2-(2,4-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide
CID 60521599
2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
CID 144509414
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
CID 71229586
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 71229942
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
1-benzyl-3-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]thiourea
CID 7010205

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide (CID 60535283) is 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide?
The InChIKey is ULZGGRFLNAQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO4S/c1-12(25-17-8-7-15(19)9-16(17)20)18(22)21-10-13-3-5-14(6-4-13)11-26(2,23)24/h3-9,12H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide has a molecular weight of 416.33 g/mol, XLogP of 3.62, 7 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-(methylsulfonylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 60535283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).