N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide

C20H23N3O5S — CID 17141015

IUPACN-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
SMILESCCOCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C20H23N3O5S/c1-2-26-14-18(24)22-23-20(29)21-19(25)16-10-6-7-11-17(16)28-13-12-27-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,24)(H2,21,23,25,29)
InChIKeyOGYPXTZJYQAJTE-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.82
Rot. Bonds9

About N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide

N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide (PubChem CID 17141015) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
PubChem CID17141015
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
SMILESCCOCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C20H23N3O5S/c1-2-26-14-18(24)22-23-20(29)21-19(25)16-10-6-7-11-17(16)28-13-12-27-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,24)(H2,21,23,25,29)
InChIKeyOGYPXTZJYQAJTE-UHFFFAOYSA-N
XLogP1.82
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
2-(2-ethoxyethoxy)-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17123188
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123164
N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123140
2-(2-methoxyethoxy)-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17356180
2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123746
N'-(2-ethoxyacetyl)-2-(2-methoxyethoxy)benzohydrazide
CID 17140943
2-(2-phenoxyethoxy)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4954751
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059
2-(2-phenoxyethoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 4954741
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
2-butoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
CID 4941755

Frequently Asked Questions

What is the IUPAC name of N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide (CID 17141015) is N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide is CCOCC(=O)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is OGYPXTZJYQAJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-2-26-14-18(24)22-23-20(29)21-19(25)16-10-6-7-11-17(16)28-13-12-27-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,24)(H2,21,23,25,29).
What are the key properties of N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 417.49 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 17141015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).