2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide

C20H18N2OS — CID 71624582

IUPAC2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
SMILESCCc1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)s1
InChIInChI=1S/C20H18N2OS/c1-2-16-12-13-17(24-16)14-21-19-11-7-6-10-18(19)20(23)22-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,23)/b21-14+
InChIKeyVIKYANUVAXYBEJ-KGENOOAVSA-N
MW334.44 g/mol
LogP5.31
Rot. Bonds5

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

2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide (PubChem CID 71624582) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
PubChem CID71624582
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
SMILESCCc1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)s1
InChIInChI=1S/C20H18N2OS/c1-2-16-12-13-17(24-16)14-21-19-11-7-6-10-18(19)20(23)22-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,23)/b21-14+
InChIKeyVIKYANUVAXYBEJ-KGENOOAVSA-N
XLogP5.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.31
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
2-[(4-chlorophenyl)methylideneamino]-N-phenylbenzamide
CID 693562
CID 164666940
CID 164666940
N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
CID 5157104
N-butan-2-yl-2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 71624696
3-[(5-methylthiophen-2-yl)methylideneamino]-N-phenylbenzamide
CID 90077938
3-bromo-N-[(5-ethylthiophen-2-yl)methylideneamino]benzamide
CID 4187812
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 5412339
N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 840834
2-[2-(diethylamino)ethylideneamino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 162613166
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-hydroxy-N-phenylbenzamide
CID 157209959

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide (CID 71624582) is 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide is CCc1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide?
The InChIKey is VIKYANUVAXYBEJ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-2-16-12-13-17(24-16)14-21-19-11-7-6-10-18(19)20(23)22-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,23)/b21-14+.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide?
2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide has a molecular weight of 334.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methylideneamino]-N-phenylbenzamide is sourced from PubChem (CID 71624582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).