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

C16H12N2O3S — CID 763427

IUPACN-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1
InChIInChI=1S/C16H12N2O3S/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1-10H,(H,17,19)(H,18,20)
InChIKeyPOPWAZGSPCSDDP-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.85
Rot. Bonds4

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

N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 763427) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID763427
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1
InChIInChI=1S/C16H12N2O3S/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1-10H,(H,17,19)(H,18,20)
InChIKeyPOPWAZGSPCSDDP-UHFFFAOYSA-N
XLogP3.85
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (CID 763427) is N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is POPWAZGSPCSDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1-10H,(H,17,19)(H,18,20).
What are the key properties of N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 763427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).