N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide

C17H13N3O2S — CID 5373375

IUPACN-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
SMILESO=C(N/N=C\c1cccs1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H13N3O2S/c21-16(17(22)20-18-11-13-7-4-10-23-13)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,19,21)(H,20,22)/b18-11-
InChIKeyRRMJEUKVCOVMFV-WQRHYEAKSA-N
MW323.38 g/mol
LogP2.99
Rot. Bonds3

About N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide

N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide (PubChem CID 5373375) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
PubChem CID5373375
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
SMILESO=C(N/N=C\c1cccs1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H13N3O2S/c21-16(17(22)20-18-11-13-7-4-10-23-13)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,19,21)(H,20,22)/b18-11-
InChIKeyRRMJEUKVCOVMFV-WQRHYEAKSA-N
XLogP2.99
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.99
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-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 45055016
2-cyano-N-naphthalen-1-yl-3-thiophen-2-ylprop-2-enamide
CID 958150
N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 75087504
N-[2-[(3-methylphenyl)carbamoyl]phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 6022812
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421
N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 4050044
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
methyl 4-[[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetyl]amino]benzoate
CID 133240887
N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 2244375

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide?
The IUPAC name of N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide (CID 5373375) is N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide?
The canonical SMILES for N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is O=C(N/N=C\c1cccs1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide?
The InChIKey is RRMJEUKVCOVMFV-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-16(17(22)20-18-11-13-7-4-10-23-13)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,19,21)(H,20,22)/b18-11-.
What are the key properties of N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide?
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide has a molecular weight of 323.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 5373375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).