2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide

C14H21NO3S — CID 60542147

IUPAC2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
SMILESCCCOc1ccc(OCCSC(C)C(N)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-3-8-17-12-4-6-13(7-5-12)18-9-10-19-11(2)14(15)16/h4-7,11H,3,8-10H2,1-2H3,(H2,15,16)
InChIKeyVZSDJMXNTZBEIR-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.46
Rot. Bonds9

About 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide

2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide (PubChem CID 60542147) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide.

Molecular Properties

Compound Name2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
PubChem CID60542147
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
SMILESCCCOc1ccc(OCCSC(C)C(N)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-3-8-17-12-4-6-13(7-5-12)18-9-10-19-11(2)14(15)16/h4-7,11H,3,8-10H2,1-2H3,(H2,15,16)
InChIKeyVZSDJMXNTZBEIR-UHFFFAOYSA-N
XLogP2.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 60542148
N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 43041762
(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide
CID 94192884
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxybenzoate
CID 2585400
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
CID 63580821
2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
CID 56807568
2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885
2-(4-butoxyphenoxy)acetamide
CID 22974475
4-(4-propoxyphenyl)benzamide
CID 23771495
(2R)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-2-phenylacetamide
CID 94342118
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The IUPAC name of 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide (CID 60542147) is 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide.
What is the SMILES notation for 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The canonical SMILES for 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide is CCCOc1ccc(OCCSC(C)C(N)=O)cc1.
What is the InChIKey of 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
The InChIKey is VZSDJMXNTZBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-8-17-12-4-6-13(7-5-12)18-9-10-19-11(2)14(15)16/h4-7,11H,3,8-10H2,1-2H3,(H2,15,16).
What are the key properties of 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide?
2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide has a molecular weight of 283.39 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide is sourced from PubChem (CID 60542147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).