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

C16H16N2O3S — CID 2920046

IUPACN-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H16N2O3S/c1-20-12-8-9-13(14(10-12)21-2)17-16(22)18-15(19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,22)
InChIKeyANKHETLBULVMPQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.83
Rot. Bonds4

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

N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide (PubChem CID 2920046) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
PubChem CID2920046
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H16N2O3S/c1-20-12-8-9-13(14(10-12)21-2)17-16(22)18-15(19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,22)
InChIKeyANKHETLBULVMPQ-UHFFFAOYSA-N
XLogP2.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.83
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
3-bromo-N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 1018544
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1346793
N-[(5-methoxy-2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 90404247
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 817326
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018
4-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 54792073
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide (CID 2920046) is N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide is COc1ccc(NC(=S)NC(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is ANKHETLBULVMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-20-12-8-9-13(14(10-12)21-2)17-16(22)18-15(19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,22).
What are the key properties of N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide?
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 316.38 g/mol, XLogP of 2.83, 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]benzamide is sourced from PubChem (CID 2920046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).