N-ethanethioyl-2,6-dimethoxybenzamide

C11H13NO3S — CID 849614

IUPACN-ethanethioyl-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(C)=S
InChIInChI=1S/C11H13NO3S/c1-7(16)12-11(13)10-8(14-2)5-4-6-9(10)15-3/h4-6H,1-3H3,(H,12,13,16)
InChIKeyJYZXAFTYHAOCSR-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.78
Rot. Bonds3

About N-ethanethioyl-2,6-dimethoxybenzamide

N-ethanethioyl-2,6-dimethoxybenzamide (PubChem CID 849614) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-ethanethioyl-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-ethanethioyl-2,6-dimethoxybenzamide
PubChem CID849614
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC NameN-ethanethioyl-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(C)=S
InChIInChI=1S/C11H13NO3S/c1-7(16)12-11(13)10-8(14-2)5-4-6-9(10)15-3/h4-6H,1-3H3,(H,12,13,16)
InChIKeyJYZXAFTYHAOCSR-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 22779683
N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954653
2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 954556
2,6-dimethoxybenzohydrazide
CID 2806104
N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2,6-dimethoxybenzamide
CID 17099481
N-[[(4-fluorobenzoyl)amino]carbamothioyl]-2,6-dimethoxybenzamide
CID 154155168
N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 17335731
(2,6-dichlorophenyl) N-(2,6-dimethoxybenzoyl)carbamate
CID 2800092
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954654
N-[(3-benzamidophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 22780287
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 23096587
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 1292820

Frequently Asked Questions

What is the IUPAC name of N-ethanethioyl-2,6-dimethoxybenzamide?
The IUPAC name of N-ethanethioyl-2,6-dimethoxybenzamide (CID 849614) is N-ethanethioyl-2,6-dimethoxybenzamide.
What is the SMILES notation for N-ethanethioyl-2,6-dimethoxybenzamide?
The canonical SMILES for N-ethanethioyl-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC(C)=S.
What is the InChIKey of N-ethanethioyl-2,6-dimethoxybenzamide?
The InChIKey is JYZXAFTYHAOCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7(16)12-11(13)10-8(14-2)5-4-6-9(10)15-3/h4-6H,1-3H3,(H,12,13,16).
What are the key properties of N-ethanethioyl-2,6-dimethoxybenzamide?
N-ethanethioyl-2,6-dimethoxybenzamide has a molecular weight of 239.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanethioyl-2,6-dimethoxybenzamide is sourced from PubChem (CID 849614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).