2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide

C12H16ClNO3S — CID 170322640

IUPAC2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide
SMILESCSCCONC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-9(12(15)14-16-7-8-18-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyICFHBWRRIFGFCZ-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.52
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide

2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide (PubChem CID 170322640) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide
PubChem CID170322640
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide
SMILESCSCCONC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-9(12(15)14-16-7-8-18-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyICFHBWRRIFGFCZ-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
CID 164935451
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
CID 112551058
(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 164935393
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
CID 79676608
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
CID 21173333
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
CID 170322536

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide (CID 170322640) is 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide is CSCCONC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide?
The InChIKey is ICFHBWRRIFGFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9(12(15)14-16-7-8-18-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide?
2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide has a molecular weight of 289.78 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide is sourced from PubChem (CID 170322640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).