N-(diethylcarbamothioyl)-2-phenylacetamide

C13H18N2OS — CID 2197614

IUPACN-(diethylcarbamothioyl)-2-phenylacetamide
SMILESCCN(CC)C(=S)NC(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2OS/c1-3-15(4-2)13(17)14-12(16)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,14,16,17)
InChIKeyNDVYSCCDPDDVME-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.97
Rot. Bonds4

About N-(diethylcarbamothioyl)-2-phenylacetamide

N-(diethylcarbamothioyl)-2-phenylacetamide (PubChem CID 2197614) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(diethylcarbamothioyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(diethylcarbamothioyl)-2-phenylacetamide
PubChem CID2197614
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(diethylcarbamothioyl)-2-phenylacetamide
SMILESCCN(CC)C(=S)NC(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2OS/c1-3-15(4-2)13(17)14-12(16)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,14,16,17)
InChIKeyNDVYSCCDPDDVME-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diethylcarbamothioyl)-2-phenylacetamide?
The IUPAC name of N-(diethylcarbamothioyl)-2-phenylacetamide (CID 2197614) is N-(diethylcarbamothioyl)-2-phenylacetamide.
What is the SMILES notation for N-(diethylcarbamothioyl)-2-phenylacetamide?
The canonical SMILES for N-(diethylcarbamothioyl)-2-phenylacetamide is CCN(CC)C(=S)NC(=O)Cc1ccccc1.
What is the InChIKey of N-(diethylcarbamothioyl)-2-phenylacetamide?
The InChIKey is NDVYSCCDPDDVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-15(4-2)13(17)14-12(16)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,14,16,17).
What are the key properties of N-(diethylcarbamothioyl)-2-phenylacetamide?
N-(diethylcarbamothioyl)-2-phenylacetamide has a molecular weight of 250.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylcarbamothioyl)-2-phenylacetamide is sourced from PubChem (CID 2197614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).