N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide

C17H14N2OS — CID 6873692

IUPACN-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCc1sccc1/C=N/NC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H14N2OS/c1-12-14(9-10-21-12)11-18-19-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,19,20)/b18-11+
InChIKeyKYBWIUAWBBQIDK-WOJGMQOQSA-N
MW294.38 g/mol
LogP3.97
Rot. Bonds3

About N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide

N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 6873692) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide
PubChem CID6873692
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCc1sccc1/C=N/NC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H14N2OS/c1-12-14(9-10-21-12)11-18-19-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,19,20)/b18-11+
InChIKeyKYBWIUAWBBQIDK-WOJGMQOQSA-N
XLogP3.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.97
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'}

Analyze N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 5430737
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325
ethyl N-[(E)-(2-methylthiophen-3-yl)methylideneamino]carbamate
CID 17389114
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
N-(2,1,3-benzoxadiazol-4-ylmethylideneamino)naphthalene-1-carboxamide
CID 1070609
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 136663063
N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide
CID 4124264

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide (CID 6873692) is N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide is Cc1sccc1/C=N/NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is KYBWIUAWBBQIDK-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-14(9-10-21-12)11-18-19-17(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide?
N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methylthiophen-3-yl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 6873692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).