2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide

C18H20ClNO2S — CID 21173368

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H20ClNO2S/c1-11-9-14(10-12(2)17(11)19)22-13(3)18(21)20-15-7-5-6-8-16(15)23-4/h5-10,13H,1-4H3,(H,20,21)
InChIKeyCGULVRJWBLBVEM-UHFFFAOYSA-N
MW349.88 g/mol
LogP5.08
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 21173368) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID21173368
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H20ClNO2S/c1-11-9-14(10-12(2)17(11)19)22-13(3)18(21)20-15-7-5-6-8-16(15)23-4/h5-10,13H,1-4H3,(H,20,21)
InChIKeyCGULVRJWBLBVEM-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.88
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588
2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 53286343
ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 2969501
methyl 3-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 21367909
2-(3,5-dichlorophenoxy)-N-(2-methylphenyl)propanamide
CID 112778065
N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19228929
2-(4-chloro-3,5-dimethylphenoxy)-N-quinolin-8-ylpropanamide
CID 20895141
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide (CID 21173368) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is CGULVRJWBLBVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-11-9-14(10-12(2)17(11)19)22-13(3)18(21)20-15-7-5-6-8-16(15)23-4/h5-10,13H,1-4H3,(H,20,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 349.88 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 21173368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).