N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide

C14H20N2O2S — CID 88576704

IUPACN-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC(=S)NC(C)(C)C
InChIInChI=1S/C14H20N2O2S/c1-14(2,3)16-13(19)15-12(17)9-10-7-5-6-8-11(10)18-4/h5-8H,9H2,1-4H3,(H2,15,16,17,19)
InChIKeyFGDXLNNPMXDXQG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.03
Rot. Bonds3

About N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide

N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide (PubChem CID 88576704) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide
PubChem CID88576704
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC(=S)NC(C)(C)C
InChIInChI=1S/C14H20N2O2S/c1-14(2,3)16-13(19)15-12(17)9-10-7-5-6-8-11(10)18-4/h5-8H,9H2,1-4H3,(H2,15,16,17,19)
InChIKeyFGDXLNNPMXDXQG-UHFFFAOYSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[[2-(2-methoxyphenyl)acetyl]amino]thiourea
CID 9425726
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
N-[2-(2-methoxyphenyl)acetyl]prop-2-ynamide
CID 175805181
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
N-(tert-butylcarbamothioyl)-2-thiophen-2-ylacetamide
CID 89224368
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide
CID 99777935

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide (CID 88576704) is N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC(=S)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is FGDXLNNPMXDXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(2,3)16-13(19)15-12(17)9-10-7-5-6-8-11(10)18-4/h5-8H,9H2,1-4H3,(H2,15,16,17,19).
What are the key properties of N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide?
N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 88576704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).