(2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide

C18H18Cl3NO2S — CID 41259550

IUPAC(2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESC[C@@H](SCCCOc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl3NO2S/c1-12(18(23)22-17-15(20)4-2-5-16(17)21)25-11-3-10-24-14-8-6-13(19)7-9-14/h2,4-9,12H,3,10-11H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyJMEICHYCVUGTPA-GFCCVEGCSA-N
MW418.77 g/mol
LogP6.18
Rot. Bonds8

About (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide

(2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 41259550) has the molecular formula C18H18Cl3NO2S and a molecular weight of 418.77 g/mol. Its IUPAC name is (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide
PubChem CID41259550
Molecular FormulaC18H18Cl3NO2S
Molecular Weight418.77 g/mol
Exact Mass417.01
IUPAC Name(2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESC[C@@H](SCCCOc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl3NO2S/c1-12(18(23)22-17-15(20)4-2-5-16(17)21)25-11-3-10-24-14-8-6-13(19)7-9-14/h2,4-9,12H,3,10-11H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyJMEICHYCVUGTPA-GFCCVEGCSA-N
XLogP6.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26632928
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
(2S)-N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide
CID 26636473
N-(3-chloro-2-methylphenyl)-2-[2-(4-cyanophenoxy)ethylsulfanyl]propanamide
CID 46634146
ethyl 2-[1-(2,6-dichloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 85010740
3-[3-(4-chlorophenoxy)propylsulfanyl]butan-2-ol
CID 103705849
N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 55436710
2-(4-aminobutylsulfanyl)-N-(2-chlorophenyl)propanamide
CID 82180215
2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84603220
N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 43041762
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565
N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089378

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide (CID 41259550) is (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide is C[C@@H](SCCCOc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is JMEICHYCVUGTPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18Cl3NO2S/c1-12(18(23)22-17-15(20)4-2-5-16(17)21)25-11-3-10-24-14-8-6-13(19)7-9-14/h2,4-9,12H,3,10-11H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide?
(2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 418.77 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 41259550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).