4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide

C13H18N2O3S — CID 2218771

IUPAC4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide
SMILESCCOc1ccc(C(=O)NC(=S)NCCOC)cc1
InChIInChI=1S/C13H18N2O3S/c1-3-18-11-6-4-10(5-7-11)12(16)15-13(19)14-8-9-17-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16,19)
InChIKeyDBHIYKWAJWVSTO-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.34
Rot. Bonds6

About 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide

4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide (PubChem CID 2218771) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide
PubChem CID2218771
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide
SMILESCCOc1ccc(C(=O)NC(=S)NCCOC)cc1
InChIInChI=1S/C13H18N2O3S/c1-3-18-11-6-4-10(5-7-11)12(16)15-13(19)14-8-9-17-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16,19)
InChIKeyDBHIYKWAJWVSTO-UHFFFAOYSA-N
XLogP1.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
CID 17353811
4-ethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822939
(E)-3-(4-ethoxyphenyl)-N-(2-methoxyethylcarbamothioyl)prop-2-enamide
CID 17227449
4-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17218467
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8620154
N-(3-methoxypropylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17140196
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
CID 172645991
4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 4948819
4-(3-methylbutoxy)-N-(propylcarbamothioyl)benzamide
CID 4949147
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353739

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide?
The IUPAC name of 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide (CID 2218771) is 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide is CCOc1ccc(C(=O)NC(=S)NCCOC)cc1.
What is the InChIKey of 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide?
The InChIKey is DBHIYKWAJWVSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-18-11-6-4-10(5-7-11)12(16)15-13(19)14-8-9-17-2/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16,19).
What are the key properties of 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide?
4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide has a molecular weight of 282.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide is sourced from PubChem (CID 2218771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).