5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

C16H11BrN2O3S — CID 1280173

IUPAC5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)o1
InChIInChI=1S/C16H11BrN2O3S/c17-14-7-6-12(22-14)15(20)18-10-3-1-4-11(9-10)19-16(21)13-5-2-8-23-13/h1-9H,(H,18,20)(H,19,21)
InChIKeyMDZMOBDNFOGMDZ-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.61
Rot. Bonds4

About 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 1280173) has the molecular formula C16H11BrN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID1280173
Molecular FormulaC16H11BrN2O3S
Molecular Weight391.25 g/mol
Exact Mass389.97
IUPAC Name5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)o1
InChIInChI=1S/C16H11BrN2O3S/c17-14-7-6-12(22-14)15(20)18-10-3-1-4-11(9-10)19-16(21)13-5-2-8-23-13/h1-9H,(H,18,20)(H,19,21)
InChIKeyMDZMOBDNFOGMDZ-UHFFFAOYSA-N
XLogP4.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (CID 1280173) is 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is MDZMOBDNFOGMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3S/c17-14-7-6-12(22-14)15(20)18-10-3-1-4-11(9-10)19-16(21)13-5-2-8-23-13/h1-9H,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1280173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).