3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide

C23H20N2O5S — CID 3762695

IUPAC3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)c1
InChIInChI=1S/C23H20N2O5S/c1-27-14-8-13(9-15(10-14)28-2)22(26)25-23(31)24-18-12-20-17(11-21(18)29-3)16-6-4-5-7-19(16)30-20/h4-12H,1-3H3,(H2,24,25,26,31)
InChIKeyMNUQVXHSJISGBD-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.74
Rot. Bonds5

About 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide

3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide (PubChem CID 3762695) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide
PubChem CID3762695
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)c1
InChIInChI=1S/C23H20N2O5S/c1-27-14-8-13(9-15(10-14)28-2)22(26)25-23(31)24-18-12-20-17(11-21(18)29-3)16-6-4-5-7-19(16)30-20/h4-12H,1-3H3,(H2,24,25,26,31)
InChIKeyMNUQVXHSJISGBD-UHFFFAOYSA-N
XLogP4.74
TPSA81.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928
1-(3,5-dimethylphenyl)-3-(2-methoxydibenzofuran-3-yl)thiourea
CID 17267872
1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea
CID 23823921
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
3-chloro-N-(2-methoxydibenzofuran-3-yl)-1-benzothiophene-2-carboxamide
CID 3922547
1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea
CID 8627344
3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3257798
3-chloro-N-(dibenzofuran-3-ylcarbamothioyl)-4-methoxybenzamide
CID 2896353
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide
CID 26664579

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide (CID 3762695) is 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide is COc1cc(OC)cc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide?
The InChIKey is MNUQVXHSJISGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-27-14-8-13(9-15(10-14)28-2)22(26)25-23(31)24-18-12-20-17(11-21(18)29-3)16-6-4-5-7-19(16)30-20/h4-12H,1-3H3,(H2,24,25,26,31).
What are the key properties of 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide?
3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide is sourced from PubChem (CID 3762695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).