2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide

C13H18N2O3S — CID 43116911

IUPAC2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccccc1C(N)=S
InChIInChI=1S/C13H18N2O3S/c1-9(13(16)15-7-8-17-2)18-11-6-4-3-5-10(11)12(14)19/h3-6,9H,7-8H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyGCIBHVKRQVKYGK-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.85
Rot. Bonds7

About 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide

2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 43116911) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID43116911
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccccc1C(N)=S
InChIInChI=1S/C13H18N2O3S/c1-9(13(16)15-7-8-17-2)18-11-6-4-3-5-10(11)12(14)19/h3-6,9H,7-8H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyGCIBHVKRQVKYGK-UHFFFAOYSA-N
XLogP0.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
2-(4-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116881
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17045861
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 63365164
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43116983
2-(2-carbamothioyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 107108545
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide (CID 43116911) is 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1ccccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is GCIBHVKRQVKYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(13(16)15-7-8-17-2)18-11-6-4-3-5-10(11)12(14)19/h3-6,9H,7-8H2,1-2H3,(H2,14,19)(H,15,16).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide?
2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 282.37 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43116911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).