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

C18H20N2O4S — CID 17139857

IUPAC3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NC(=S)Nc2ccccc2O)c1
InChIInChI=1S/C18H20N2O4S/c1-2-23-10-11-24-14-7-5-6-13(12-14)17(22)20-18(25)19-15-8-3-4-9-16(15)21/h3-9,12,21H,2,10-11H2,1H3,(H2,19,20,22,25)
InChIKeyNSGFHFFDLFIMID-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.93
Rot. Bonds7

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

3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 17139857) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID17139857
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NC(=S)Nc2ccccc2O)c1
InChIInChI=1S/C18H20N2O4S/c1-2-23-10-11-24-14-7-5-6-13(12-14)17(22)20-18(25)19-15-8-3-4-9-16(15)21/h3-9,12,21H,2,10-11H2,1H3,(H2,19,20,22,25)
InChIKeyNSGFHFFDLFIMID-UHFFFAOYSA-N
XLogP2.93
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907
3-(2-ethoxyethoxy)-N-[(2-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17151137
3-(2-ethoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17139885
3-(2-ethoxyethoxy)-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170062
3-(2-ethoxyethoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 17139839
2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148501
3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17139837
2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17186895
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17139843
3-(2-ethoxyethoxy)-N-[(2-ethyl-6-methylphenyl)carbamothioyl]benzamide
CID 17139933
N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142797
3-(2-ethoxyethoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154941

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide (CID 17139857) is 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide is CCOCCOc1cccc(C(=O)NC(=S)Nc2ccccc2O)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is NSGFHFFDLFIMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-23-10-11-24-14-7-5-6-13(12-14)17(22)20-18(25)19-15-8-3-4-9-16(15)21/h3-9,12,21H,2,10-11H2,1H3,(H2,19,20,22,25).
What are the key properties of 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17139857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).