2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide

C13H12N2O2S2 — CID 66354146

IUPAC2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1ccsc1
InChIInChI=1S/C13H12N2O2S2/c14-13(18)10-3-1-2-4-11(10)17-7-12(16)15-9-5-6-19-8-9/h1-6,8H,7H2,(H2,14,18)(H,15,16)
InChIKeyIKHIUIHNKRJLHM-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.40
Rot. Bonds5

About 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide

2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide (PubChem CID 66354146) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide
PubChem CID66354146
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC Name2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1ccsc1
InChIInChI=1S/C13H12N2O2S2/c14-13(18)10-3-1-2-4-11(10)17-7-12(16)15-9-5-6-19-8-9/h1-6,8H,7H2,(H2,14,18)(H,15,16)
InChIKeyIKHIUIHNKRJLHM-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.40
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-pyridin-4-ylacetamide
CID 24703026
2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
CID 24691201
2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide
CID 114912654
2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 28893684
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
CID 83135884
2-[2-[[2-(2-carbamothioylphenoxy)acetyl]amino]ethoxy]acetamide
CID 106237128
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
CID 43591453
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
CID 83015559

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide (CID 66354146) is 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide is NC(=S)c1ccccc1OCC(=O)Nc1ccsc1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide?
The InChIKey is IKHIUIHNKRJLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c14-13(18)10-3-1-2-4-11(10)17-7-12(16)15-9-5-6-19-8-9/h1-6,8H,7H2,(H2,14,18)(H,15,16).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide?
2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide has a molecular weight of 292.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide is sourced from PubChem (CID 66354146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).