N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide

C15H15N3O2S — CID 9156025

IUPACN-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)s2)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-3-6-12(7-4-10)17-14(19)15(20)18-16-9-13-8-5-11(2)21-13/h3-9H,1-2H3,(H,17,19)(H,18,20)/b16-9-
InChIKeyWXWFROBYBBSUSV-SXGWCWSVSA-N
MW301.37 g/mol
LogP2.45
Rot. Bonds3

About N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide

N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide (PubChem CID 9156025) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
PubChem CID9156025
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)s2)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-3-6-12(7-4-10)17-14(19)15(20)18-16-9-13-8-5-11(2)21-13/h3-9H,1-2H3,(H,17,19)(H,18,20)/b16-9-
InChIKeyWXWFROBYBBSUSV-SXGWCWSVSA-N
XLogP2.45
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.45
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

4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
CID 9351587
N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 126008179
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371
N-butyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 126010643
N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
CID 9155826
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-phenylbutanediamide
CID 6120513
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243
N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179776
N'-[(Z)-(3,4-difluorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180073

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide (CID 9156025) is N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide is Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide?
The InChIKey is WXWFROBYBBSUSV-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-3-6-12(7-4-10)17-14(19)15(20)18-16-9-13-8-5-11(2)21-13/h3-9H,1-2H3,(H,17,19)(H,18,20)/b16-9-.
What are the key properties of N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide?
N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide has a molecular weight of 301.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 9156025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).