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

C17H14N2O4S — CID 738843

IUPACN-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C17H14N2O4S/c1-22-14-10-11(18-17(21)15-5-3-9-24-15)6-7-12(14)19-16(20)13-4-2-8-23-13/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyIJZQTAGWRHDIKL-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.85
Rot. Bonds5

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

N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 738843) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID738843
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C17H14N2O4S/c1-22-14-10-11(18-17(21)15-5-3-9-24-15)6-7-12(14)19-16(20)13-4-2-8-23-13/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyIJZQTAGWRHDIKL-UHFFFAOYSA-N
XLogP3.85
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.85
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]furan-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (CID 738843) is N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is IJZQTAGWRHDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-22-14-10-11(18-17(21)15-5-3-9-24-15)6-7-12(14)19-16(20)13-4-2-8-23-13/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.85, 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]furan-2-carboxamide is sourced from PubChem (CID 738843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).