2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide

C13H17N3O3S — CID 43567092

IUPAC2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)COc1ccc(C(N)=S)cc1
InChIInChI=1S/C13H17N3O3S/c1-2-15-11(17)7-16-12(18)8-19-10-5-3-9(4-6-10)13(14)20/h3-6H,2,7-8H2,1H3,(H2,14,20)(H,15,17)(H,16,18)
InChIKeyZHQMVYFUVWDLSS-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.05
Rot. Bonds7

About 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide

2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide (PubChem CID 43567092) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide
PubChem CID43567092
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)COc1ccc(C(N)=S)cc1
InChIInChI=1S/C13H17N3O3S/c1-2-15-11(17)7-16-12(18)8-19-10-5-3-9(4-6-10)13(14)20/h3-6H,2,7-8H2,1H3,(H2,14,20)(H,15,17)(H,16,18)
InChIKeyZHQMVYFUVWDLSS-UHFFFAOYSA-N
XLogP-0.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]acetate
CID 24690991
butyl 4-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzoate
CID 8511733
N-ethyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetamide
CID 86907761
N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide
CID 9076404
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842622
N-ethyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetamide
CID 9224487
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-ethylacetamide
CID 18145615
2-(4-carbamothioylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 29283325
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-3-methylbutanamide
CID 106345607
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide (CID 43567092) is 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide is CCNC(=O)CNC(=O)COc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide?
The InChIKey is ZHQMVYFUVWDLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-15-11(17)7-16-12(18)8-19-10-5-3-9(4-6-10)13(14)20/h3-6H,2,7-8H2,1H3,(H2,14,20)(H,15,17)(H,16,18).
What are the key properties of 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide?
2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide has a molecular weight of 295.36 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide is sourced from PubChem (CID 43567092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).