N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide

C18H22N2O2S — CID 6875049

IUPACN-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCCCOc1ccc(/C=N/NC(=O)c2csc(C)c2C)cc1
InChIInChI=1S/C18H22N2O2S/c1-4-5-10-22-16-8-6-15(7-9-16)11-19-20-18(21)17-12-23-14(3)13(17)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)/b19-11+
InChIKeyOGNBQOVATMMEGN-YBFXNURJSA-N
MW330.45 g/mol
LogP4.31
Rot. Bonds7

About N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide

N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 6875049) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID6875049
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCCCOc1ccc(/C=N/NC(=O)c2csc(C)c2C)cc1
InChIInChI=1S/C18H22N2O2S/c1-4-5-10-22-16-8-6-15(7-9-16)11-19-20-18(21)17-12-23-14(3)13(17)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)/b19-11+
InChIKeyOGNBQOVATMMEGN-YBFXNURJSA-N
XLogP4.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861722
N'-(3-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 6880401
N'-(3-furylmethylene)-5-isopropyl-3-thiophenecarbohydrazide
CID 9563603
N'-(4-hydroxy-3-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 135641355
4-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]butanamide
CID 5403292
(2E)-2-{[(thiophen-2-yl)formamido]imino}-2H-chromene-3-carboxamide
CID 6056754
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6880233
N'-[(E)-(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883293
N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6883520
Tert-butyl 2-{4-[(2-thienylcarbonyl)oxy]benzylidene}hydrazinecarboxylate
CID 5349770
N'-[4-(benzyloxy)benzylidene]-2-thiophenecarbohydrazide
CID 6878737
5-methyl-N'-[(5-methyl-2-furyl)methylene]-3-thiophenecarbohydrazide
CID 9563602

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide (CID 6875049) is N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide is CCCCOc1ccc(/C=N/NC(=O)c2csc(C)c2C)cc1.
What is the InChIKey of N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is OGNBQOVATMMEGN-YBFXNURJSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-4-5-10-22-16-8-6-15(7-9-16)11-19-20-18(21)17-12-23-14(3)13(17)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-butoxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 6875049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).