2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide

C24H24N2O4S — CID 17131059

IUPAC2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-2-28-21-14-8-6-12-19(21)23(27)26-24(31)25-20-13-7-9-15-22(20)30-17-16-29-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H2,25,26,27,31)
InChIKeyZRWYTBHYAPQYED-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.67
Rot. Bonds9

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

2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide (PubChem CID 17131059) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
PubChem CID17131059
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-2-28-21-14-8-6-12-19(21)23(27)26-24(31)25-20-13-7-9-15-22(20)30-17-16-29-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H2,25,26,27,31)
InChIKeyZRWYTBHYAPQYED-UHFFFAOYSA-N
XLogP4.67
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-butoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131066
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N-[(2-ethoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944555
N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
N-(2-methoxyethyl)-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150502
N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131025
N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123102
2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093705
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954528
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188354
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide (CID 17131059) is 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide is CCOc1ccccc1C(=O)NC(=S)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide?
The InChIKey is ZRWYTBHYAPQYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-2-28-21-14-8-6-12-19(21)23(27)26-24(31)25-20-13-7-9-15-22(20)30-17-16-29-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H2,25,26,27,31).
What are the key properties of 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide?
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17131059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).