(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide

C11H14ClNO2S — CID 94192884

IUPAC(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide
SMILESC[C@@H](SCCOc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C11H14ClNO2S/c1-8(11(13)14)16-6-5-15-10-4-2-3-9(12)7-10/h2-4,7-8H,5-6H2,1H3,(H2,13,14)/t8-/m1/s1
InChIKeyWNTGYMDFLRUEEQ-MRVPVSSYSA-N
MW259.76 g/mol
LogP2.33
Rot. Bonds6

About (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide

(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide (PubChem CID 94192884) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide
PubChem CID94192884
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide
SMILESC[C@@H](SCCOc1cccc(Cl)c1)C(N)=O
InChIInChI=1S/C11H14ClNO2S/c1-8(11(13)14)16-6-5-15-10-4-2-3-9(12)7-10/h2-4,7-8H,5-6H2,1H3,(H2,13,14)/t8-/m1/s1
InChIKeyWNTGYMDFLRUEEQ-MRVPVSSYSA-N
XLogP2.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.33
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

2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-cyclopentylpropanamide
CID 60542050
2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542147
2-amino-4-(3-chlorophenoxy)butanamide
CID 174561608
3-(3-chlorophenoxy)propanamide
CID 23512799
1-[2-(3-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66219215
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol
CID 43416970
5-(3-chlorophenoxy)pentan-2-one
CID 62030286
S-[4-(3-chlorophenoxy)butyl] N,N-dimethylcarbamothioate
CID 13276420
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide?
The IUPAC name of (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide (CID 94192884) is (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide is C[C@@H](SCCOc1cccc(Cl)c1)C(N)=O.
What is the InChIKey of (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide?
The InChIKey is WNTGYMDFLRUEEQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-8(11(13)14)16-6-5-15-10-4-2-3-9(12)7-10/h2-4,7-8H,5-6H2,1H3,(H2,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide?
(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide has a molecular weight of 259.76 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 94192884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).