methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate

C18H14N2O5S — CID 134024119

IUPACmethyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C18H14N2O5S/c1-24-18(23)11-5-2-3-6-12(11)19-17(22)14-8-9-15(26-14)20-16(21)13-7-4-10-25-13/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyLVFRMPLUVJDDOM-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.63
Rot. Bonds5

About methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate

methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate (PubChem CID 134024119) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
PubChem CID134024119
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Namemethyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C18H14N2O5S/c1-24-18(23)11-5-2-3-6-12(11)19-17(22)14-8-9-15(26-14)20-16(21)13-7-4-10-25-13/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyLVFRMPLUVJDDOM-UHFFFAOYSA-N
XLogP3.63
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[2-(methylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34756176
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330523
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33373925
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
N-[5-[(4-chloro-2-fluorophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302478
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate (CID 134024119) is methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The InChIKey is LVFRMPLUVJDDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S/c1-24-18(23)11-5-2-3-6-12(11)19-17(22)14-8-9-15(26-14)20-16(21)13-7-4-10-25-13/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate has a molecular weight of 370.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate is sourced from PubChem (CID 134024119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).