N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide

C18H16N2O2S — CID 6144551

IUPACN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3cccs3)ccc2c1
InChIInChI=1S/C18H16N2O2S/c1-12(19-20-18(21)17-4-3-9-23-17)13-5-6-15-11-16(22-2)8-7-14(15)10-13/h3-11H,1-2H3,(H,20,21)/b19-12-
InChIKeyZNXXTZSTTOZZDS-UNOMPAQXSA-N
MW324.41 g/mol
LogP4.06
Rot. Bonds4

About N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide

N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 6144551) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
PubChem CID6144551
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3cccs3)ccc2c1
InChIInChI=1S/C18H16N2O2S/c1-12(19-20-18(21)17-4-3-9-23-17)13-5-6-15-11-16(22-2)8-7-14(15)10-13/h3-11H,1-2H3,(H,20,21)/b19-12-
InChIKeyZNXXTZSTTOZZDS-UNOMPAQXSA-N
XLogP4.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 135685177
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9176423
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
N-[4-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4575514
diethyl-[[2-methoxy-5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenyl]methyl]azanium
CID 9176511
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 6293320
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide
CID 9176517

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide (CID 6144551) is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide is COc1ccc2cc(/C(C)=N\NC(=O)c3cccs3)ccc2c1.
What is the InChIKey of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is ZNXXTZSTTOZZDS-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12(19-20-18(21)17-4-3-9-23-17)13-5-6-15-11-16(22-2)8-7-14(15)10-13/h3-11H,1-2H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide?
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6144551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).