2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide

C17H18N2O2S — CID 2959068

IUPAC2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide
SMILESCOc1ccccc1C(=O)NC(=S)NC(C)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-12(13-8-4-3-5-9-13)18-17(22)19-16(20)14-10-6-7-11-15(14)21-2/h3-12H,1-2H3,(H2,18,19,20,22)
InChIKeyXLFOVCSQEOIGAQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.06
Rot. Bonds4

About 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide

2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide (PubChem CID 2959068) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide
PubChem CID2959068
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide
SMILESCOc1ccccc1C(=O)NC(=S)NC(C)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-12(13-8-4-3-5-9-13)18-17(22)19-16(20)14-10-6-7-11-15(14)21-2/h3-12H,1-2H3,(H2,18,19,20,22)
InChIKeyXLFOVCSQEOIGAQ-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.06
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

N-(1-phenylethylcarbamothioyl)-2-propoxybenzamide
CID 4948645
2-(3-methylbutoxy)-N-[[(1R)-1-phenylethyl]carbamothioyl]benzamide
CID 9206226
2-bromo-N-[[(1S)-1-phenylethyl]carbamothioyl]benzamide
CID 1303945
N-(1-phenylethyl)-2-[(2-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17045880
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[4-[[(1S)-1-(4-fluorophenyl)ethyl]carbamothioylamino]phenyl]-2-methoxybenzamide
CID 20847106
2-nitro-N-(1-phenylethylcarbamothioyl)benzamide
CID 3494931
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
5-bromo-N-(1-phenylethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17051960
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide?
The IUPAC name of 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide (CID 2959068) is 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide?
The canonical SMILES for 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide is COc1ccccc1C(=O)NC(=S)NC(C)c1ccccc1.
What is the InChIKey of 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide?
The InChIKey is XLFOVCSQEOIGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12(13-8-4-3-5-9-13)18-17(22)19-16(20)14-10-6-7-11-15(14)21-2/h3-12H,1-2H3,(H2,18,19,20,22).
What are the key properties of 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide?
2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide has a molecular weight of 314.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-phenylethylcarbamothioyl)benzamide is sourced from PubChem (CID 2959068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).