N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide

C18H20N2O3S — CID 961018

IUPACN-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C18H20N2O3S/c1-11-5-7-14(12(2)9-11)17(21)20-18(24)19-15-8-6-13(22-3)10-16(15)23-4/h5-10H,1-4H3,(H2,19,20,21,24)
InChIKeySWSLSWICBNERLC-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.45
Rot. Bonds4

About N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide

N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide (PubChem CID 961018) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
PubChem CID961018
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C18H20N2O3S/c1-11-5-7-14(12(2)9-11)17(21)20-18(24)19-15-8-6-13(22-3)10-16(15)23-4/h5-10H,1-4H3,(H2,19,20,21,24)
InChIKeySWSLSWICBNERLC-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 834971
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1346793
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 961010
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 817326
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
1,3-bis(2-methoxy-4-methylphenyl)thiourea
CID 17370539
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 4063907
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 2207743
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethoxybenzamide
CID 17098957

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide (CID 961018) is N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide is COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide?
The InChIKey is SWSLSWICBNERLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-5-7-14(12(2)9-11)17(21)20-18(24)19-15-8-6-13(22-3)10-16(15)23-4/h5-10H,1-4H3,(H2,19,20,21,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide?
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 961018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).