N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide

C16H12N2OS — CID 4191451

IUPACN-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
SMILESO=C(NN=Cc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C16H12N2OS/c19-16(18-17-11-13-7-4-10-20-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)
InChIKeyNRUKJJBWOHQZSW-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.67
Rot. Bonds3

About N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide

N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide (PubChem CID 4191451) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
PubChem CID4191451
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC NameN-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
SMILESO=C(NN=Cc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C16H12N2OS/c19-16(18-17-11-13-7-4-10-20-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)
InChIKeyNRUKJJBWOHQZSW-UHFFFAOYSA-N
XLogP3.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 6873692
2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
CID 1484943
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4931437
1-methyl-4-oxo-N-(thiophen-2-ylmethylideneamino)quinoline-3-carboxamide
CID 175202707
1-methyl-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-3-carboxamide
CID 162513707
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide (CID 4191451) is N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide is O=C(NN=Cc1cccs1)c1cccc2ccccc12.
What is the InChIKey of N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide?
The InChIKey is NRUKJJBWOHQZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-16(18-17-11-13-7-4-10-20-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19).
What are the key properties of N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide?
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide is sourced from PubChem (CID 4191451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).