N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide

C17H18N2O2S — CID 39158590

IUPACN-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(N)=S)c2)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-12-6-8-15(9-7-12)21-11-16(20)19-14-5-3-4-13(10-14)17(18)22/h3-10H,2,11H2,1H3,(H2,18,22)(H,19,20)
InChIKeyWYOHVAUNYZVIHC-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.90
Rot. Bonds6

About N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide

N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide (PubChem CID 39158590) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
PubChem CID39158590
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(N)=S)c2)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-12-6-8-15(9-7-12)21-11-16(20)19-14-5-3-4-13(10-14)17(18)22/h3-10H,2,11H2,1H3,(H2,18,22)(H,19,20)
InChIKeyWYOHVAUNYZVIHC-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 39158622
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 26159338
3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877775
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-(3-ethylphenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028344
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide (CID 39158590) is N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2cccc(C(N)=S)c2)cc1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is WYOHVAUNYZVIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-12-6-8-15(9-7-12)21-11-16(20)19-14-5-3-4-13(10-14)17(18)22/h3-10H,2,11H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide?
N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 314.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 39158590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).