N-(ethylcarbamothioyl)-3-methylbenzamide

C11H14N2OS — CID 4947765

IUPACN-(ethylcarbamothioyl)-3-methylbenzamide
SMILESCCNC(=S)NC(=O)c1cccc(C)c1
InChIInChI=1S/C11H14N2OS/c1-3-12-11(15)13-10(14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyZLHVDUKFPGJAHP-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.62
Rot. Bonds2

About N-(ethylcarbamothioyl)-3-methylbenzamide

N-(ethylcarbamothioyl)-3-methylbenzamide (PubChem CID 4947765) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(ethylcarbamothioyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(ethylcarbamothioyl)-3-methylbenzamide
PubChem CID4947765
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(ethylcarbamothioyl)-3-methylbenzamide
SMILESCCNC(=S)NC(=O)c1cccc(C)c1
InChIInChI=1S/C11H14N2OS/c1-3-12-11(15)13-10(14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyZLHVDUKFPGJAHP-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropylcarbamothioyl)-3-methylbenzamide
CID 4927183
N-[(butanoylamino)carbamothioyl]-3-methylbenzamide
CID 17340116
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-methylbenzamide
CID 884861
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883
3-bromo-N-(propylcarbamothioyl)benzamide
CID 54791594
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]-3-methylbenzamide
CID 7325861
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 883436
3,5-dibromo-4-[(3-methylbenzoyl)carbamothioylamino]benzoic acid
CID 91688320
3-methyl-N-[(4-methylsulfonylphenyl)carbamothioyl]benzamide
CID 89089600
N-[(2-cyanophenyl)carbamothioyl]-3-methylbenzamide
CID 905209

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamothioyl)-3-methylbenzamide?
The IUPAC name of N-(ethylcarbamothioyl)-3-methylbenzamide (CID 4947765) is N-(ethylcarbamothioyl)-3-methylbenzamide.
What is the SMILES notation for N-(ethylcarbamothioyl)-3-methylbenzamide?
The canonical SMILES for N-(ethylcarbamothioyl)-3-methylbenzamide is CCNC(=S)NC(=O)c1cccc(C)c1.
What is the InChIKey of N-(ethylcarbamothioyl)-3-methylbenzamide?
The InChIKey is ZLHVDUKFPGJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-12-11(15)13-10(14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(ethylcarbamothioyl)-3-methylbenzamide?
N-(ethylcarbamothioyl)-3-methylbenzamide has a molecular weight of 222.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamothioyl)-3-methylbenzamide is sourced from PubChem (CID 4947765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).