N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide

C21H16N2O4S — CID 1132525

IUPACN-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H16N2O4S/c1-26-17-12-14(22-21(25)19-7-4-10-28-19)8-9-15(17)23-20(24)18-11-13-5-2-3-6-16(13)27-18/h2-12H,1H3,(H,22,25)(H,23,24)
InChIKeyZLFAPJWEWBZKED-UHFFFAOYSA-N
MW392.44 g/mol
LogP5.01
Rot. Bonds5

About N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide

N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1132525) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1132525
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC NameN-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H16N2O4S/c1-26-17-12-14(22-21(25)19-7-4-10-28-19)8-9-15(17)23-20(24)18-11-13-5-2-3-6-16(13)27-18/h2-12H,1H3,(H,22,25)(H,23,24)
InChIKeyZLFAPJWEWBZKED-UHFFFAOYSA-N
XLogP5.01
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide (CID 1132525) is N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide is COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZLFAPJWEWBZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c1-26-17-12-14(22-21(25)19-7-4-10-28-19)8-9-15(17)23-20(24)18-11-13-5-2-3-6-16(13)27-18/h2-12H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide?
N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1132525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).