N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide

C16H24N2O2S — CID 17143030

IUPACN-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide
SMILESCCCCNC(=S)NC(=O)c1ccccc1OCC(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-5-10-17-16(21)18-15(19)13-8-6-7-9-14(13)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19,21)
InChIKeySROJHJGVZROUDK-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.13
Rot. Bonds7

About N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide

N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide (PubChem CID 17143030) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide
PubChem CID17143030
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide
SMILESCCCCNC(=S)NC(=O)c1ccccc1OCC(C)C
InChIInChI=1S/C16H24N2O2S/c1-4-5-10-17-16(21)18-15(19)13-8-6-7-9-14(13)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19,21)
InChIKeySROJHJGVZROUDK-UHFFFAOYSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4946095
N-[[3-(hexanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 26161907
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945827
N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17218473
N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4946157
ethyl 4-[[2-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate
CID 4945828
5-bromo-N-(butylcarbamothioyl)-2-(3-methylbutoxy)benzamide
CID 17143050
N-butyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17149477
N-[(2,3-dichlorophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945953
2-hexoxy-N-(methylcarbamothioyl)benzamide
CID 4942752
5-bromo-N-(2-methoxyethylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17051210
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17113367

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide (CID 17143030) is N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide is CCCCNC(=S)NC(=O)c1ccccc1OCC(C)C.
What is the InChIKey of N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide?
The InChIKey is SROJHJGVZROUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-5-10-17-16(21)18-15(19)13-8-6-7-9-14(13)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19,21).
What are the key properties of N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide?
N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide has a molecular weight of 308.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17143030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).