2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide

C17H18N2O4S — CID 954556

IUPAC2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(NC(=S)NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H18N2O4S/c1-21-12-7-4-6-11(10-12)18-17(24)19-16(20)15-13(22-2)8-5-9-14(15)23-3/h4-10H,1-3H3,(H2,18,19,20,24)
InChIKeySPVMLBWCVHMPHQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.84
Rot. Bonds5

About 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide

2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide (PubChem CID 954556) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
PubChem CID954556
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(NC(=S)NC(=O)c2c(OC)cccc2OC)c1
InChIInChI=1S/C17H18N2O4S/c1-21-12-7-4-6-11(10-12)18-17(24)19-16(20)15-13(22-2)8-5-9-14(15)23-3/h4-10H,1-3H3,(H2,18,19,20,24)
InChIKeySPVMLBWCVHMPHQ-UHFFFAOYSA-N
XLogP2.84
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-benzamidophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 22780287
5-bromo-2-methoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 1018546
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 22779683
N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 17335731
3,4,5-triethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 1048188
3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 882848
N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 23100463
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 17150032
2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097026
N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954653

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide (CID 954556) is 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide is COc1cccc(NC(=S)NC(=O)c2c(OC)cccc2OC)c1.
What is the InChIKey of 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The InChIKey is SPVMLBWCVHMPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-21-12-7-4-6-11(10-12)18-17(24)19-16(20)15-13(22-2)8-5-9-14(15)23-3/h4-10H,1-3H3,(H2,18,19,20,24).
What are the key properties of 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide has a molecular weight of 346.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 954556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).