N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide

C16H12N2O4S — CID 2318964

IUPACN-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc12
InChIInChI=1S/C16H12N2O4S/c1-22-13-7-6-12(10-4-2-3-5-11(10)13)17-16(19)14-8-9-15(23-14)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyANAFHDNWVIKKPP-UHFFFAOYSA-N
MW328.35 g/mol
LogP4.07
Rot. Bonds4

About N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide

N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide (PubChem CID 2318964) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide
PubChem CID2318964
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc12
InChIInChI=1S/C16H12N2O4S/c1-22-13-7-6-12(10-4-2-3-5-11(10)13)17-16(19)14-8-9-15(23-14)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyANAFHDNWVIKKPP-UHFFFAOYSA-N
XLogP4.07
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-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-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide
CID 4049338
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide
CID 4878100
N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
CID 112770102
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-5-nitrothiophene-2-carboxamide
CID 2315989
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 61406295
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763
N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide
CID 79676242
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide (CID 2318964) is N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc12.
What is the InChIKey of N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide?
The InChIKey is ANAFHDNWVIKKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c1-22-13-7-6-12(10-4-2-3-5-11(10)13)17-16(19)14-8-9-15(23-14)18(20)21/h2-9H,1H3,(H,17,19).
What are the key properties of N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide?
N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 2318964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).