N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide

C14H16N2O2S — CID 6005254

IUPACN-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide
SMILESCCC/C(=N\NC(=O)c1ccco1)c1ccc(C)s1
InChIInChI=1S/C14H16N2O2S/c1-3-5-11(13-8-7-10(2)19-13)15-16-14(17)12-6-4-9-18-12/h4,6-9H,3,5H2,1-2H3,(H,16,17)/b15-11+
InChIKeyUUMPOWFBDKOKMV-RVDMUPIBSA-N
MW276.36 g/mol
LogP3.58
Rot. Bonds5

About N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide

N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide (PubChem CID 6005254) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide
PubChem CID6005254
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide
SMILESCCC/C(=N\NC(=O)c1ccco1)c1ccc(C)s1
InChIInChI=1S/C14H16N2O2S/c1-3-5-11(13-8-7-10(2)19-13)15-16-14(17)12-6-4-9-18-12/h4,6-9H,3,5H2,1-2H3,(H,16,17)/b15-11+
InChIKeyUUMPOWFBDKOKMV-RVDMUPIBSA-N
XLogP3.58
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-phenylpentylideneamino)furan-2-carboxamide
CID 4993294
5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 6074875
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
CID 6272309
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
CID 6517419
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
N-[bis(6-methyl-2-pyridinyl)methylideneamino]furan-2-carboxamide
CID 162738457
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide (CID 6005254) is N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide is CCC/C(=N\NC(=O)c1ccco1)c1ccc(C)s1.
What is the InChIKey of N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide?
The InChIKey is UUMPOWFBDKOKMV-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-5-11(13-8-7-10(2)19-13)15-16-14(17)12-6-4-9-18-12/h4,6-9H,3,5H2,1-2H3,(H,16,17)/b15-11+.
What are the key properties of N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide?
N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6005254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).