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

C19H16N2OS — CID 90077938

IUPAC3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
SMILESCc1ccc(/C=N/c2cccc(C(=O)Nc3ccccc3)c2)s1
InChIInChI=1S/C19H16N2OS/c1-14-10-11-18(23-14)13-20-17-9-5-6-15(12-17)19(22)21-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,22)/b20-13+
InChIKeyUOLPLGXOIAPDNC-DEDYPNTBSA-N
MW320.42 g/mol
LogP5.06
Rot. Bonds4

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

3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide (PubChem CID 90077938) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
PubChem CID90077938
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
SMILESCc1ccc(/C=N/c2cccc(C(=O)Nc3ccccc3)c2)s1
InChIInChI=1S/C19H16N2OS/c1-14-10-11-18(23-14)13-20-17-9-5-6-15(12-17)19(22)21-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,22)/b20-13+
InChIKeyUOLPLGXOIAPDNC-DEDYPNTBSA-N
XLogP5.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 71624111
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-phenylbutanediamide
CID 6120513
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
3-isocyanato-N-(4-methylphenyl)benzamide
CID 169353489
N-phenyl-3-(sulfanylmethyl)benzamide
CID 18007783
N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide
CID 56695198
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(5-methylthiophen-2-yl)methanimine
CID 1227593
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681119
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The IUPAC name of 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide (CID 90077938) is 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide.
What is the SMILES notation for 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The canonical SMILES for 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide is Cc1ccc(/C=N/c2cccc(C(=O)Nc3ccccc3)c2)s1.
What is the InChIKey of 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The InChIKey is UOLPLGXOIAPDNC-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-14-10-11-18(23-14)13-20-17-9-5-6-15(12-17)19(22)21-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,22)/b20-13+.
What are the key properties of 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide?
3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide has a molecular weight of 320.42 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide is sourced from PubChem (CID 90077938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).