N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide

C15H16N2OS — CID 4188286

IUPACN-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
SMILESCCc1ccc(C=NNC(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C15H16N2OS/c1-3-13-8-9-14(19-13)10-16-17-15(18)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyVEZSEIPKHBUWAN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.38
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide

N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide (PubChem CID 4188286) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
PubChem CID4188286
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
SMILESCCc1ccc(C=NNC(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C15H16N2OS/c1-3-13-8-9-14(19-13)10-16-17-15(18)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyVEZSEIPKHBUWAN-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 840834
N-[(5-ethylthiophen-2-yl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 4122673
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
4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 5393549
3-chloro-N-[(5-ethylthiophen-2-yl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 5084932
N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
CID 5157104
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide
CID 6020557

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide (CID 4188286) is N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide is CCc1ccc(C=NNC(=O)c2ccc(C)cc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide?
The InChIKey is VEZSEIPKHBUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-13-8-9-14(19-13)10-16-17-15(18)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide?
N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide has a molecular weight of 272.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 4188286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).