2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide

C14H16N2O2S — CID 6517419

IUPAC2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
SMILESCCC/C(=N/NC(=O)c1ccoc1C)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-3-5-12(13-6-4-9-19-13)15-16-14(17)11-7-8-18-10(11)2/h4,6-9H,3,5H2,1-2H3,(H,16,17)/b15-12-
InChIKeyWZBMSOCKLHKIRG-QINSGFPZSA-N
MW276.36 g/mol
LogP3.58
Rot. Bonds5

About 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide (PubChem CID 6517419) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
PubChem CID6517419
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
SMILESCCC/C(=N/NC(=O)c1ccoc1C)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-3-5-12(13-6-4-9-19-13)15-16-14(17)11-7-8-18-10(11)2/h4,6-9H,3,5H2,1-2H3,(H,16,17)/b15-12-
InChIKeyWZBMSOCKLHKIRG-QINSGFPZSA-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-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide
CID 6517677
N-[(E)-1-thiophen-2-ylbutylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6072763
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide
CID 842534
4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide
CID 6536354
6-bromo-3-chloro-N-(1-thiophen-2-ylbutylideneamino)-1-benzothiophene-2-carboxamide
CID 5213778
2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide
CID 5343180
N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide
CID 6005254
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
ethyl 2-methyl-3-(thiophene-2-carbonylhydrazinylidene)butanoate
CID 3467381
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
4-(methylcarbamothioylhydrazinylidene)-4-thiophen-2-ylbutanoic acid
CID 4690416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide (CID 6517419) is 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide is CCC/C(=N/NC(=O)c1ccoc1C)c1cccs1.
What is the InChIKey of 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide?
The InChIKey is WZBMSOCKLHKIRG-QINSGFPZSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-5-12(13-6-4-9-19-13)15-16-14(17)11-7-8-18-10(11)2/h4,6-9H,3,5H2,1-2H3,(H,16,17)/b15-12-.
What are the key properties of 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-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 2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6517419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).