methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate

C21H17NO4S — CID 18876182

IUPACmethyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc3oc4ccccc4c3c2)sc(C)c1C
InChIInChI=1S/C21H17NO4S/c1-11-12(2)27-20(18(11)21(24)25-3)22-19(23)13-8-9-17-15(10-13)14-6-4-5-7-16(14)26-17/h4-10H,1-3H3,(H,22,23)
InChIKeyDSVMHCGYKGSBPY-UHFFFAOYSA-N
MW379.44 g/mol
LogP5.30
Rot. Bonds3

About methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate

methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 18876182) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID18876182
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Namemethyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc3oc4ccccc4c3c2)sc(C)c1C
InChIInChI=1S/C21H17NO4S/c1-11-12(2)27-20(18(11)21(24)25-3)22-19(23)13-8-9-17-15(10-13)14-6-4-5-7-16(14)26-17/h4-10H,1-3H3,(H,22,23)
InChIKeyDSVMHCGYKGSBPY-UHFFFAOYSA-N
XLogP5.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl dibenzofuran-2-carboxylate
CID 3702628
methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7287248
methyl 4,5-dimethyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 705597
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82344409
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1220521
methyl 2-[(2,4-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7287254
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 16649201
methyl 4,5-dimethyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 43981345
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55666471
N-(2-iodophenyl)dibenzofuran-2-carboxamide
CID 18876166

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate (CID 18876182) is methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccc3oc4ccccc4c3c2)sc(C)c1C.
What is the InChIKey of methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is DSVMHCGYKGSBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-11-12(2)27-20(18(11)21(24)25-3)22-19(23)13-8-9-17-15(10-13)14-6-4-5-7-16(14)26-17/h4-10H,1-3H3,(H,22,23).
What are the key properties of methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate?
methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 379.44 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 18876182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).