2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide

C17H20N2O2S2 — CID 4946095

IUPAC2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
SMILESCC(C)COc1ccccc1C(=O)NC(=S)NCc1cccs1
InChIInChI=1S/C17H20N2O2S2/c1-12(2)11-21-15-8-4-3-7-14(15)16(20)19-17(22)18-10-13-6-5-9-23-13/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20,22)
InChIKeyXUCRQVSSBZCSJB-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.59
Rot. Bonds6

About 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide

2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide (PubChem CID 4946095) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
PubChem CID4946095
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
SMILESCC(C)COc1ccccc1C(=O)NC(=S)NCc1cccs1
InChIInChI=1S/C17H20N2O2S2/c1-12(2)11-21-15-8-4-3-7-14(15)16(20)19-17(22)18-10-13-6-5-9-23-13/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20,22)
InChIKeyXUCRQVSSBZCSJB-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925309
N-(butylcarbamothioyl)-2-(2-methylpropoxy)benzamide
CID 17143030
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17074348
4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4952306
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 28640122
N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4946157
N-[(2,3-dichlorophenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945953
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945827
N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17218473
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The IUPAC name of 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide (CID 4946095) is 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide.
What is the SMILES notation for 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The canonical SMILES for 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide is CC(C)COc1ccccc1C(=O)NC(=S)NCc1cccs1.
What is the InChIKey of 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The InChIKey is XUCRQVSSBZCSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-12(2)11-21-15-8-4-3-7-14(15)16(20)19-17(22)18-10-13-6-5-9-23-13/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide has a molecular weight of 348.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide is sourced from PubChem (CID 4946095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).