3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide

C20H24N2O4S — CID 17139907

IUPAC3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NC(=S)Nc2ccccc2OCC)c1
InChIInChI=1S/C20H24N2O4S/c1-3-24-12-13-26-16-9-7-8-15(14-16)19(23)22-20(27)21-17-10-5-6-11-18(17)25-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,23,27)
InChIKeyBTSRBIODVKPXCT-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.63
Rot. Bonds9

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

3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide (PubChem CID 17139907) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
PubChem CID17139907
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NC(=S)Nc2ccccc2OCC)c1
InChIInChI=1S/C20H24N2O4S/c1-3-24-12-13-26-16-9-7-8-15(14-16)19(23)22-20(27)21-17-10-5-6-11-18(17)25-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,23,27)
InChIKeyBTSRBIODVKPXCT-UHFFFAOYSA-N
XLogP3.63
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.63
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

3-(2-ethoxyethoxy)-N-[(2-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17151137
3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 17139857
3-(2-ethoxyethoxy)-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170062
N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
CID 2901874
3-(2-ethoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17139885
3-(2-ethoxyethoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 17139839
2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148501
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17139837
N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142797
3-(2-ethoxyethoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154941
2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17186895

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide (CID 17139907) is 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide is CCOCCOc1cccc(C(=O)NC(=S)Nc2ccccc2OCC)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is BTSRBIODVKPXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-24-12-13-26-16-9-7-8-15(14-16)19(23)22-20(27)21-17-10-5-6-11-18(17)25-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,21,22,23,27).
What are the key properties of 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide?
3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17139907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).