N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide

C16H17N3O2S — CID 126002866

IUPACN-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCc1ccc(CNC(=O)C(=O)N/N=C\c2sccc2C)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-3-5-13(6-4-11)9-17-15(20)16(21)19-18-10-14-12(2)7-8-22-14/h3-8,10H,9H2,1-2H3,(H,17,20)(H,19,21)/b18-10-
InChIKeyGZMDHSXJJPCUCD-ZDLGFXPLSA-N
MW315.40 g/mol
LogP2.13
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide

N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide (PubChem CID 126002866) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
PubChem CID126002866
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
SMILESCc1ccc(CNC(=O)C(=O)N/N=C\c2sccc2C)cc1
InChIInChI=1S/C16H17N3O2S/c1-11-3-5-13(6-4-11)9-17-15(20)16(21)19-18-10-14-12(2)7-8-22-14/h3-8,10H,9H2,1-2H3,(H,17,20)(H,19,21)/b18-10-
InChIKeyGZMDHSXJJPCUCD-ZDLGFXPLSA-N
XLogP2.13
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 ≤ 52.13
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'}

Analyze N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide with MolForge

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Related Compounds

N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 94846879
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 94846890
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 84867392
N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 19659662
N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide
CID 94846881
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 126127045
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932041
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898840

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide (CID 126002866) is N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide is Cc1ccc(CNC(=O)C(=O)N/N=C\c2sccc2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
The InChIKey is GZMDHSXJJPCUCD-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-3-5-13(6-4-11)9-17-15(20)16(21)19-18-10-14-12(2)7-8-22-14/h3-8,10H,9H2,1-2H3,(H,17,20)(H,19,21)/b18-10-.
What are the key properties of N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide?
N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide has a molecular weight of 315.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 126002866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).