N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide

C17H19N3O2S — CID 94846881

IUPACN'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide
SMILESCc1ccsc1/C=N\NC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H19N3O2S/c1-11(2)13-4-6-14(7-5-13)19-16(21)17(22)20-18-10-15-12(3)8-9-23-15/h4-11H,1-3H3,(H,19,21)(H,20,22)/b18-10-
InChIKeySNTANXBHJMSEJC-ZDLGFXPLSA-N
MW329.43 g/mol
LogP3.27
Rot. Bonds4

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

N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide (PubChem CID 94846881) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide
PubChem CID94846881
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide
SMILESCc1ccsc1/C=N\NC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H19N3O2S/c1-11(2)13-4-6-14(7-5-13)19-16(21)17(22)20-18-10-15-12(3)8-9-23-15/h4-11H,1-3H3,(H,19,21)(H,20,22)/b18-10-
InChIKeySNTANXBHJMSEJC-ZDLGFXPLSA-N
XLogP3.27
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.27
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'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 19659662
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 4123133
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-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 126002866
N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 6880599
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4923323
2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 6259909
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 9121577
(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 94837836

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide (CID 94846881) is N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide is Cc1ccsc1/C=N\NC(=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide?
The InChIKey is SNTANXBHJMSEJC-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(2)13-4-6-14(7-5-13)19-16(21)17(22)20-18-10-15-12(3)8-9-23-15/h4-11H,1-3H3,(H,19,21)(H,20,22)/b18-10-.
What are the key properties of N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide?
N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide has a molecular weight of 329.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 94846881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).