N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

C20H20N2O5S — CID 1374340

IUPACN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAGWFGPCZMMBBOZ-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.64
Rot. Bonds8

About N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 1374340) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID1374340
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAGWFGPCZMMBBOZ-UHFFFAOYSA-N
XLogP4.64
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (CID 1374340) is N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is AGWFGPCZMMBBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-3-25-16-12-14(22-20(24)18-8-6-10-28-18)17(26-4-2)11-13(16)21-19(23)15-7-5-9-27-15/h5-12H,3-4H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1374340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).