N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide

C16H17N3O4S — CID 6880599

IUPACN-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)c(OC)c1
InChIInChI=1S/C16H17N3O4S/c1-10-6-7-24-14(10)9-17-19-16(21)15(20)18-12-5-4-11(22-2)8-13(12)23-3/h4-9H,1-3H3,(H,18,20)(H,19,21)/b17-9+
InChIKeyGYQHSZLWVRHDPZ-RQZCQDPDSA-N
MW347.40 g/mol
LogP2.16
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide

N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide (PubChem CID 6880599) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
PubChem CID6880599
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)c(OC)c1
InChIInChI=1S/C16H17N3O4S/c1-10-6-7-24-14(10)9-17-19-16(21)15(20)18-12-5-4-11(22-2)8-13(12)23-3/h4-9H,1-3H3,(H,18,20)(H,19,21)/b17-9+
InChIKeyGYQHSZLWVRHDPZ-RQZCQDPDSA-N
XLogP2.16
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
N-(2,4-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661572
N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 6017944
N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 19659662
N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 94837129
3-methoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6090091
N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 6876538
N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496945
[3-[[[2-(2,4-dimethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 4639823
N'-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
CID 4522719

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide (CID 6880599) is N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide is COc1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The InChIKey is GYQHSZLWVRHDPZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-6-7-24-14(10)9-17-19-16(21)15(20)18-12-5-4-11(22-2)8-13(12)23-3/h4-9H,1-3H3,(H,18,20)(H,19,21)/b17-9+.
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide has a molecular weight of 347.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 6880599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).