N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide

C16H17N3O2S — CID 19659662

IUPACN-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C/c1sccc1C
InChIInChI=1S/C16H17N3O2S/c1-3-12-6-4-5-7-13(12)18-15(20)16(21)19-17-10-14-11(2)8-9-22-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)/b17-10+
InChIKeyPDMZOUWIILKJAR-LICLKQGHSA-N
MW315.40 g/mol
LogP2.71
Rot. Bonds4

About N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide

N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide (PubChem CID 19659662) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
PubChem CID19659662
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C/c1sccc1C
InChIInChI=1S/C16H17N3O2S/c1-3-12-6-4-5-7-13(12)18-15(20)16(21)19-17-10-14-11(2)8-9-22-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)/b17-10+
InChIKeyPDMZOUWIILKJAR-LICLKQGHSA-N
XLogP2.71
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898860
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 94846890
N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide
CID 94846881
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 135615725
N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 6880599
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide
CID 4656715
N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 126002866
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide (CID 19659662) is N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide is CCc1ccccc1NC(=O)C(=O)N/N=C/c1sccc1C.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The InChIKey is PDMZOUWIILKJAR-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-3-12-6-4-5-7-13(12)18-15(20)16(21)19-17-10-14-11(2)8-9-22-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)/b17-10+.
What are the key properties of N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide has a molecular weight of 315.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 19659662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).