2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide

C24H24N2O4S — CID 17093705

IUPAC2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-28-15-16-29-21-13-7-5-11-19(21)23(27)26-24(31)25-20-12-6-8-14-22(20)30-17-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H2,25,26,27,31)
InChIKeyJSQCQOWZCKOFQR-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.42
Rot. Bonds9

About 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide

2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide (PubChem CID 17093705) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
PubChem CID17093705
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-28-15-16-29-21-13-7-5-11-19(21)23(27)26-24(31)25-20-12-6-8-14-22(20)30-17-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H2,25,26,27,31)
InChIKeyJSQCQOWZCKOFQR-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
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-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17356241
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059
2-butoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131066
2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628378
5-bromo-2-hexoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093697
N-(2-methoxyethyl)-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150502
5-bromo-2-ethoxy-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17093702
N-benzyl-2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17123042
N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123102
2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]-N-propylbenzamide
CID 19628513
N-[(2-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355902
N-(2-phenylethyl)-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 4948780

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide (CID 17093705) is 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide is COCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is JSQCQOWZCKOFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-28-15-16-29-21-13-7-5-11-19(21)23(27)26-24(31)25-20-12-6-8-14-22(20)30-17-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H2,25,26,27,31).
What are the key properties of 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide?
2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17093705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).