N-(ethylcarbamothioyl)-N-phenylbenzamide

C16H16N2OS — CID 57059223

IUPACN-(ethylcarbamothioyl)-N-phenylbenzamide
SMILESCCNC(=S)N(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-2-17-16(20)18(14-11-7-4-8-12-14)15(19)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,17,20)
InChIKeyRMWNIVANKLOREG-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.23
Rot. Bonds3

About N-(ethylcarbamothioyl)-N-phenylbenzamide

N-(ethylcarbamothioyl)-N-phenylbenzamide (PubChem CID 57059223) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(ethylcarbamothioyl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-(ethylcarbamothioyl)-N-phenylbenzamide
PubChem CID57059223
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(ethylcarbamothioyl)-N-phenylbenzamide
SMILESCCNC(=S)N(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-2-17-16(20)18(14-11-7-4-8-12-14)15(19)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,17,20)
InChIKeyRMWNIVANKLOREG-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 13029157
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
N-ethyl-3-phenyl-3-sulfanylidenepropanamide
CID 121218710
N-ethylbenzamide
CID 160772566
N-ethylbenzamide;hydrochloride
CID 57444995
N-(2-oxo-2-phenylacetyl)-N-phenylbenzamide
CID 11782445
N-ethanethioyl-N-ethylbenzamide
CID 45118543
1-(ethylcarbamothioylamino)-1-phenylurea
CID 22301401
3-ethyl-1-[[2-[[N-(ethylcarbamothioyl)anilino]sulfamoyl]acetyl]amino]-1-phenylthiourea
CID 46240119
3-[benzyl(ethylcarbamothioyl)amino]propanamide
CID 24540900
N-(4-acetylphenyl)-N-carbamothioylbenzamide
CID 141254851
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamothioyl)-N-phenylbenzamide?
The IUPAC name of N-(ethylcarbamothioyl)-N-phenylbenzamide (CID 57059223) is N-(ethylcarbamothioyl)-N-phenylbenzamide.
What is the SMILES notation for N-(ethylcarbamothioyl)-N-phenylbenzamide?
The canonical SMILES for N-(ethylcarbamothioyl)-N-phenylbenzamide is CCNC(=S)N(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(ethylcarbamothioyl)-N-phenylbenzamide?
The InChIKey is RMWNIVANKLOREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-17-16(20)18(14-11-7-4-8-12-14)15(19)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,17,20).
What are the key properties of N-(ethylcarbamothioyl)-N-phenylbenzamide?
N-(ethylcarbamothioyl)-N-phenylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamothioyl)-N-phenylbenzamide is sourced from PubChem (CID 57059223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).