(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide

C17H13N3O3S — CID 59043157

IUPAC(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
SMILESO=C1Nc2sc(C(=O)NCc3ccco3)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C17H13N3O3S/c21-15-12(7-10-3-1-5-18-10)13-8-14(24-17(13)20-15)16(22)19-9-11-4-2-6-23-11/h1-8,18H,9H2,(H,19,22)(H,20,21)/b12-7-
InChIKeyZEERSPUYCJWPFP-GHXNOFRVSA-N
MW339.38 g/mol
LogP3.09
Rot. Bonds4

About (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide

(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide (PubChem CID 59043157) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
PubChem CID59043157
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
SMILESO=C1Nc2sc(C(=O)NCc3ccco3)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C17H13N3O3S/c21-15-12(7-10-3-1-5-18-10)13-8-14(24-17(13)20-15)16(22)19-9-11-4-2-6-23-11/h1-8,18H,9H2,(H,19,22)(H,20,21)/b12-7-
InChIKeyZEERSPUYCJWPFP-GHXNOFRVSA-N
XLogP3.09
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-N-(2-methoxyethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 22976079
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
CID 20963407
N-(furan-2-ylmethyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683767
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
N-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766123
N-(furan-2-ylmethyl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171039
(5S)-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9034359
5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 110484783
4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 18150991

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The IUPAC name of (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide (CID 59043157) is (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The canonical SMILES for (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide is O=C1Nc2sc(C(=O)NCc3ccco3)cc2/C1=C/c1ccc[nH]1.
What is the InChIKey of (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The InChIKey is ZEERSPUYCJWPFP-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-15-12(7-10-3-1-5-18-10)13-8-14(24-17(13)20-15)16(22)19-9-11-4-2-6-23-11/h1-8,18H,9H2,(H,19,22)(H,20,21)/b12-7-.
What are the key properties of (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 59043157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).