2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide

C12H16N2O3S — CID 54879329

IUPAC2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C12H16N2O3S/c1-14(6-7-15)11(16)8-17-10-5-3-2-4-9(10)12(13)18/h2-5,15H,6-8H2,1H3,(H2,13,18)
InChIKeyAZNNFWPBHYKDNL-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.15
Rot. Bonds6

About 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide

2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 54879329) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID54879329
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C12H16N2O3S/c1-14(6-7-15)11(16)8-17-10-5-3-2-4-9(10)12(13)18/h2-5,15H,6-8H2,1H3,(H2,13,18)
InChIKeyAZNNFWPBHYKDNL-UHFFFAOYSA-N
XLogP0.15
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
2-(2-carbamothioylphenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102862530
2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43527060
2-(2-carbamothioylphenoxy)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43569454
2-(2-carbamothioylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 61442997
2-(2-carbamothioylphenoxy)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 62640625
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 43291238
2-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethoxy]benzamide
CID 61039674
2-(2-carbamothioylphenoxy)-N-cyclopropyl-N-(cyclopropylmethyl)acetamide
CID 64520553
N-(2-hydroxyethyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 60652730
2-(4-bromo-2-carbamothioylphenoxy)-N-ethyl-N-methylacetamide
CID 83146158
2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide
CID 61448716

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide (CID 54879329) is 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)COc1ccccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is AZNNFWPBHYKDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-14(6-7-15)11(16)8-17-10-5-3-2-4-9(10)12(13)18/h2-5,15H,6-8H2,1H3,(H2,13,18).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide?
2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 268.34 g/mol, XLogP of 0.15, 6 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-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 54879329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).