2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide

C18H20N2O3S — CID 17097026

IUPAC2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
SMILESCCCOc1cccc(NC(=S)NC(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H20N2O3S/c1-3-11-23-14-8-6-7-13(12-14)19-18(24)20-17(21)15-9-4-5-10-16(15)22-2/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,24)
InChIKeyWLGFJAXLKFNDBU-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.61
Rot. Bonds6

About 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide

2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide (PubChem CID 17097026) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
PubChem CID17097026
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
SMILESCCCOc1cccc(NC(=S)NC(=O)c2ccccc2OC)c1
InChIInChI=1S/C18H20N2O3S/c1-3-11-23-14-8-6-7-13(12-14)19-18(24)20-17(21)15-9-4-5-10-16(15)22-2/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,24)
InChIKeyWLGFJAXLKFNDBU-UHFFFAOYSA-N
XLogP3.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.61
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-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxybenzamide
CID 17098395
2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123746
4-(2-phenoxyethoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097060
N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948583
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123705
2-hexoxy-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17086853
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562
2,4-dimethoxy-N-(3-propoxyphenyl)benzamide
CID 34372962
N-[[3-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide
CID 46762186
1-phenyl-3-(3-propoxyphenyl)thiourea
CID 17096649
N-phenyl-3-[(3-propoxybenzoyl)carbamothioylamino]benzamide
CID 54781287

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide (CID 17097026) is 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide is CCCOc1cccc(NC(=S)NC(=O)c2ccccc2OC)c1.
What is the InChIKey of 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide?
The InChIKey is WLGFJAXLKFNDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-11-23-14-8-6-7-13(12-14)19-18(24)20-17(21)15-9-4-5-10-16(15)22-2/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,24).
What are the key properties of 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide?
2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17097026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).