N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide

C15H16N2OS — CID 5418164

IUPACN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
SMILESCc1ccc(/C=N\NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C15H16N2OS/c1-12-7-9-14(19-12)11-16-17-15(18)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,17,18)/b16-11-
InChIKeyPWVNBKSYPGAMJL-WJDWOHSUSA-N
MW272.37 g/mol
LogP3.14
Rot. Bonds5

About N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide

N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide (PubChem CID 5418164) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
PubChem CID5418164
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
SMILESCc1ccc(/C=N\NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C15H16N2OS/c1-12-7-9-14(19-12)11-16-17-15(18)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,17,18)/b16-11-
InChIKeyPWVNBKSYPGAMJL-WJDWOHSUSA-N
XLogP3.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.14
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-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5394131
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-phenylbutanediamide
CID 6120513
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
N-(2,5-dimethylphenyl)-N'-[(5-methylthiophen-2-yl)methylideneamino]butanediamide
CID 3289546
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932924
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 6123716
2-(2,6-dimethylphenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 909240
N-[(5-methylthiophen-2-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4519460
2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 968305
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide (CID 5418164) is N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide is Cc1ccc(/C=N\NC(=O)CCc2ccccc2)s1.
What is the InChIKey of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide?
The InChIKey is PWVNBKSYPGAMJL-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12-7-9-14(19-12)11-16-17-15(18)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,17,18)/b16-11-.
What are the key properties of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide?
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide has a molecular weight of 272.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 5418164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).