2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide

C26H28N2O5S — CID 17123746

IUPAC2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
SMILESCCOCCOc1ccccc1C(=O)NC(=S)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H28N2O5S/c1-2-30-15-16-33-24-14-7-6-13-23(24)25(29)28-26(34)27-20-9-8-12-22(19-20)32-18-17-31-21-10-4-3-5-11-21/h3-14,19H,2,15-18H2,1H3,(H2,27,28,29,34)
InChIKeyPDIYBDHAYCEVHZ-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.69
Rot. Bonds12

About 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide

2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide (PubChem CID 17123746) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
PubChem CID17123746
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
SMILESCCOCCOc1ccccc1C(=O)NC(=S)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H28N2O5S/c1-2-30-15-16-33-24-14-7-6-13-23(24)25(29)28-26(34)27-20-9-8-12-22(19-20)32-18-17-31-21-10-4-3-5-11-21/h3-14,19H,2,15-18H2,1H3,(H2,27,28,29,34)
InChIKeyPDIYBDHAYCEVHZ-UHFFFAOYSA-N
XLogP4.69
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123705
N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17189376
N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxybenzamide
CID 17098395
2-(2-ethoxyethoxy)-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17222190
2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097026
3-(2-ethoxyethoxy)-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170062
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954528
2-(2-ethoxyethoxy)-N-(3-methoxyphenyl)benzamide
CID 17122713

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide (CID 17123746) is 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide is CCOCCOc1ccccc1C(=O)NC(=S)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide?
The InChIKey is PDIYBDHAYCEVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-2-30-15-16-33-24-14-7-6-13-23(24)25(29)28-26(34)27-20-9-8-12-22(19-20)32-18-17-31-21-10-4-3-5-11-21/h3-14,19H,2,15-18H2,1H3,(H2,27,28,29,34).
What are the key properties of 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide?
2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide has a molecular weight of 480.59 g/mol, XLogP of 4.69, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17123746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).