methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate

C20H15N3O5S — CID 67052227

IUPACmethyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)csc1-c1cnc(OC)cn1
InChIInChI=1S/C20H15N3O5S/c1-26-16-9-21-12(8-22-16)18-17(20(25)27-2)13(10-29-18)23-19(24)15-7-11-5-3-4-6-14(11)28-15/h3-10H,1-2H3,(H,23,24)
InChIKeyOMBDWPJTGCZYJV-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.00
Rot. Bonds5

About methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate

methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate (PubChem CID 67052227) has the molecular formula C20H15N3O5S and a molecular weight of 409.42 g/mol. Its IUPAC name is methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate
PubChem CID67052227
Molecular FormulaC20H15N3O5S
Molecular Weight409.42 g/mol
Exact Mass409.07
IUPAC Namemethyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)csc1-c1cnc(OC)cn1
InChIInChI=1S/C20H15N3O5S/c1-26-16-9-21-12(8-22-16)18-17(20(25)27-2)13(10-29-18)23-19(24)15-7-11-5-3-4-6-14(11)28-15/h3-10H,1-2H3,(H,23,24)
InChIKeyOMBDWPJTGCZYJV-UHFFFAOYSA-N
XLogP4.00
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid
CID 58191467
4-(1-benzofuran-2-carbonylamino)-2-(2,5-difluoro-4-methoxyphenyl)thiophene-3-carboxylic acid
CID 58191255
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 6459983
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate?
The IUPAC name of methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate (CID 67052227) is methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cc3ccccc3o2)csc1-c1cnc(OC)cn1.
What is the InChIKey of methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate?
The InChIKey is OMBDWPJTGCZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5S/c1-26-16-9-21-12(8-22-16)18-17(20(25)27-2)13(10-29-18)23-19(24)15-7-11-5-3-4-6-14(11)28-15/h3-10H,1-2H3,(H,23,24).
What are the key properties of methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate?
methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate has a molecular weight of 409.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 67052227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).