4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide

C15H16N2OS — CID 5155397

IUPAC4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
SMILESCC(C)c1ccc(C(=O)NN=Cc2ccsc2)cc1
InChIInChI=1S/C15H16N2OS/c1-11(2)13-3-5-14(6-4-13)15(18)17-16-9-12-7-8-19-10-12/h3-11H,1-2H3,(H,17,18)
InChIKeyLDUQHFJXPOKVGJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.64
Rot. Bonds4

About 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide

4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide (PubChem CID 5155397) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
PubChem CID5155397
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide
SMILESCC(C)c1ccc(C(=O)NN=Cc2ccsc2)cc1
InChIInChI=1S/C15H16N2OS/c1-11(2)13-3-5-14(6-4-13)15(18)17-16-9-12-7-8-19-10-12/h3-11H,1-2H3,(H,17,18)
InChIKeyLDUQHFJXPOKVGJ-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
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

4-(2-methylpropanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980551
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980480
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 135684588
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
4-[[(E)-(3-propan-2-ylphenyl)methylideneamino]carbamoyl]benzoic acid
CID 143556975
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 92662313
4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 6174804
dichloronickel;bis([(E)-thiophen-3-ylmethylideneamino]urea)
CID 86573341
2,2-diphenoxy-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5499251

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide?
The IUPAC name of 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide (CID 5155397) is 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide is CC(C)c1ccc(C(=O)NN=Cc2ccsc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide?
The InChIKey is LDUQHFJXPOKVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11(2)13-3-5-14(6-4-13)15(18)17-16-9-12-7-8-19-10-12/h3-11H,1-2H3,(H,17,18).
What are the key properties of 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide?
4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide has a molecular weight of 272.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(thiophen-3-ylmethylideneamino)benzamide is sourced from PubChem (CID 5155397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).