N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide

C15H11N3O3S — CID 647091

IUPACN-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccco1
InChIInChI=1S/C15H11N3O3S/c19-14(11-3-1-7-21-11)18-13-6-5-10(9-16-13)17-15(20)12-4-2-8-22-12/h1-9H,(H,17,20)(H,16,18,19)
InChIKeyNMCUOQSDFBGTMF-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.24
Rot. Bonds4

About N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide

N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 647091) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide
PubChem CID647091
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccco1
InChIInChI=1S/C15H11N3O3S/c19-14(11-3-1-7-21-11)18-13-6-5-10(9-16-13)17-15(20)12-4-2-8-22-12/h1-9H,(H,17,20)(H,16,18,19)
InChIKeyNMCUOQSDFBGTMF-UHFFFAOYSA-N
XLogP3.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide (CID 647091) is N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccco1.
What is the InChIKey of N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is NMCUOQSDFBGTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-14(11-3-1-7-21-11)18-13-6-5-10(9-16-13)17-15(20)12-4-2-8-22-12/h1-9H,(H,17,20)(H,16,18,19).
What are the key properties of N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(thiophene-2-carbonylamino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 647091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).