2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide

C18H16N4O3S2 — CID 6874189

IUPAC2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(C)s3)o2)s1
InChIInChI=1S/C18H16N4O3S2/c1-11-3-5-13(26-11)9-19-21-17(23)15-7-8-16(25-15)18(24)22-20-10-14-6-4-12(2)27-14/h3-10H,1-2H3,(H,21,23)(H,22,24)/b19-9+,20-10+
InChIKeyHFFDIBUCHNLZJM-LQGKIZFRSA-N
MW400.49 g/mol
LogP3.55
Rot. Bonds6

About 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide

2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide (PubChem CID 6874189) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide
PubChem CID6874189
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(C)s3)o2)s1
InChIInChI=1S/C18H16N4O3S2/c1-11-3-5-13(26-11)9-19-21-17(23)15-7-8-16(25-15)18(24)22-20-10-14-6-4-12(2)27-14/h3-10H,1-2H3,(H,21,23)(H,22,24)/b19-9+,20-10+
InChIKeyHFFDIBUCHNLZJM-LQGKIZFRSA-N
XLogP3.55
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-methyl-3-thienyl)methylene]-2-furohydrazide
CID 5334350
N'-[(E)-(5-methylthiophen-2-yl)methylidene]furan-2-carbohydrazide
CID 5393109
5-bromo-N'-[(5-ethyl-2-thienyl)methylene]-2-furohydrazide
CID 5411784
N'~2~,N'~5~-bis(2-furylmethylene)-2,5-furandicarbohydrazide
CID 6874196
N'-[(5-methyl-2-furyl)methylene]-2-thiophenecarbohydrazide
CID 5390299
N'-[(E)-(3-methylthiophen-2-yl)methylidene]furan-2-carbohydrazide
CID 6861695
5-bromo-N'-[(5-methyl-2-thienyl)methylene]-2-furohydrazide
CID 6873695
N-[(E)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
CID 6887332
Furane-2-carbohydrazide, 5-(1-hexynyl)-N2-(2-thenoyl)-
CID 574197
N-[(E)-[(5E)-5-(thiophene-2-carbonylhydrazinylidene)pentylidene]amino]furan-2-carboxamide
CID 145980355
N-[(5-methylfuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 668403
N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide
CID 668437

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide (CID 6874189) is 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide is Cc1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(C)s3)o2)s1.
What is the InChIKey of 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide?
The InChIKey is HFFDIBUCHNLZJM-LQGKIZFRSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c1-11-3-5-13(26-11)9-19-21-17(23)15-7-8-16(25-15)18(24)22-20-10-14-6-4-12(2)27-14/h3-10H,1-2H3,(H,21,23)(H,22,24)/b19-9+,20-10+.
What are the key properties of 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 6874189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).