N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide

C15H16N2OS — CID 6154232

IUPACN-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
SMILESCC(C)/C(=N\NC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c1-11(2)14(12-7-4-3-5-8-12)16-17-15(18)13-9-6-10-19-13/h3-11H,1-2H3,(H,17,18)/b16-14+
InChIKeyHKJWPXYWQHTFKX-JQIJEIRASA-N
MW272.37 g/mol
LogP3.54
Rot. Bonds4

About N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide

N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide (PubChem CID 6154232) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
PubChem CID6154232
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
SMILESCC(C)/C(=N\NC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c1-11(2)14(12-7-4-3-5-8-12)16-17-15(18)13-9-6-10-19-13/h3-11H,1-2H3,(H,17,18)/b16-14+
InChIKeyHKJWPXYWQHTFKX-JQIJEIRASA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6235724
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6390210
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 4838698
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide (CID 6154232) is N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide is CC(C)/C(=N\NC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide?
The InChIKey is HKJWPXYWQHTFKX-JQIJEIRASA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11(2)14(12-7-4-3-5-8-12)16-17-15(18)13-9-6-10-19-13/h3-11H,1-2H3,(H,17,18)/b16-14+.
What are the key properties of N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide?
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide is sourced from PubChem (CID 6154232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).