N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide

C14H20N2O3S — CID 17045861

IUPACN-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide
SMILESCOCCNC(=S)NC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C14H20N2O3S/c1-10(2)19-12-7-5-4-6-11(12)13(17)16-14(20)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17,20)
InChIKeyFOADKHYVJRVLQL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.72
Rot. Bonds6

About N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide

N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide (PubChem CID 17045861) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide
PubChem CID17045861
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide
SMILESCOCCNC(=S)NC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C14H20N2O3S/c1-10(2)19-12-7-5-4-6-11(12)13(17)16-14(20)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17,20)
InChIKeyFOADKHYVJRVLQL-UHFFFAOYSA-N
XLogP1.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.72
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

N-ethyl-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045912
2-bromo-N-(2-methoxyethylcarbamothioyl)benzamide
CID 2239625
N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
CID 17161980
5-bromo-N-(2-phenylethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17051897
2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116911
N-[[(2-chlorobenzoyl)amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045953
N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045738
N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 46760897
N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17218473
2-propan-2-yloxy-N-(1,3-thiazol-2-ylcarbamothioyl)benzamide
CID 17045791
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17079945
N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045921

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide?
The IUPAC name of N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide (CID 17045861) is N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide is COCCNC(=S)NC(=O)c1ccccc1OC(C)C.
What is the InChIKey of N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide?
The InChIKey is FOADKHYVJRVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)19-12-7-5-4-6-11(12)13(17)16-14(20)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17,20).
What are the key properties of N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide?
N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamothioyl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17045861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).