N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide

C20H24N2O3S — CID 4955234

IUPACN-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
SMILESCCN(CC)C(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-3-22(4-2)20(26)21-19(23)16-9-8-12-18(15-16)25-14-13-24-17-10-6-5-7-11-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23,26)
InChIKeyGUHQPPQHJAXXPT-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.50
Rot. Bonds8

About N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide

N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide (PubChem CID 4955234) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
PubChem CID4955234
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
SMILESCCN(CC)C(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-3-22(4-2)20(26)21-19(23)16-9-8-12-18(15-16)25-14-13-24-17-10-6-5-7-11-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23,26)
InChIKeyGUHQPPQHJAXXPT-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
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

N-(methylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955357
ethyl 3-[benzyl-[[3-(2-phenoxyethoxy)benzoyl]carbamothioyl]amino]propanoate
CID 43910849
N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 17143039
N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 54790668
N-[benzyl(methyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134568
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
N-[[(3-methylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955383
N-[2-cyanoethyl(2-phenylethyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 54790667
N-(benzamidocarbamothioyl)-3-propoxybenzamide
CID 4960455
N-[(4-heptoxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955369
N-[(3-ethoxypropanoylamino)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 17358062
N-[(4-hydroxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955179

Frequently Asked Questions

What is the IUPAC name of N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide (CID 4955234) is N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide is CCN(CC)C(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide?
The InChIKey is GUHQPPQHJAXXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-22(4-2)20(26)21-19(23)16-9-8-12-18(15-16)25-14-13-24-17-10-6-5-7-11-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23,26).
What are the key properties of N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide?
N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4955234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).