N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide

C15H10N2O3S — CID 78885714

IUPACN-naphthalen-2-yl-5-nitrothiophene-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C15H10N2O3S/c18-15(12-8-14(17(19)20)21-9-12)16-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,16,18)
InChIKeyFCTODQIMTXGGQH-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.06
Rot. Bonds3

About N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide

N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide (PubChem CID 78885714) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-5-nitrothiophene-3-carboxamide
PubChem CID78885714
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC NameN-naphthalen-2-yl-5-nitrothiophene-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C15H10N2O3S/c18-15(12-8-14(17(19)20)21-9-12)16-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,16,18)
InChIKeyFCTODQIMTXGGQH-UHFFFAOYSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-naphthalen-2-yl-5-nitrothiophene-3-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

2-chloro-5-[(5-nitrothiophene-3-carbonyl)amino]benzoic acid
CID 60782737
N-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080
4-(ethylamino)-N-naphthalen-2-yl-3-nitrobenzamide
CID 26087424
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
CID 5018859
5-nitro-N-(2-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
CID 46486849
2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
CID 679720
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
N-naphthalen-2-yl-4-thiophen-2-ylbenzamide
CID 59673380

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide?
The IUPAC name of N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide (CID 78885714) is N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide is O=C(Nc1ccc2ccccc2c1)c1csc([N+](=O)[O-])c1.
What is the InChIKey of N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide?
The InChIKey is FCTODQIMTXGGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c18-15(12-8-14(17(19)20)21-9-12)16-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,16,18).
What are the key properties of N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide?
N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-5-nitrothiophene-3-carboxamide is sourced from PubChem (CID 78885714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).