N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide

C23H15NOS — CID 154635937

IUPACN-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide
SMILESO=C(Nc1cccc2cccc(C#Cc3cccs3)c12)c1ccccc1
InChIInChI=1S/C23H15NOS/c25-23(19-7-2-1-3-8-19)24-21-13-5-11-17-9-4-10-18(22(17)21)14-15-20-12-6-16-26-20/h1-13,16H,(H,24,25)
InChIKeyONIUFYKBOKWZPO-UHFFFAOYSA-N
MW353.45 g/mol
LogP5.55
Rot. Bonds2

About N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide

N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide (PubChem CID 154635937) has the molecular formula C23H15NOS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide
PubChem CID154635937
Molecular FormulaC23H15NOS
Molecular Weight353.45 g/mol
Exact Mass353.09
IUPAC NameN-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide
SMILESO=C(Nc1cccc2cccc(C#Cc3cccs3)c12)c1ccccc1
InChIInChI=1S/C23H15NOS/c25-23(19-7-2-1-3-8-19)24-21-13-5-11-17-9-4-10-18(22(17)21)14-15-20-12-6-16-26-20/h1-13,16H,(H,24,25)
InChIKeyONIUFYKBOKWZPO-UHFFFAOYSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5,9-dibenzamidotriphenylen-1-yl)benzamide
CID 141408236
4-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 35230362
N-[2-[3-(2-benzamidophenyl)but-3-en-1-ynyl]phenyl]benzamide
CID 102225394
zinc bis(2-benzamidobenzoate)
CID 67586546
N-(2-hydroxyphenyl)-4-thiophen-2-ylbenzamide
CID 944599
2-benzamidobenzenesulfinate
CID 174329903
N-(10-methylsulfanylphenanthren-1-yl)benzamide
CID 162399879
N-[4-benzamido-5-[(3,4-dibenzamidothiophen-2-yl)disulfanyl]thiophen-3-yl]benzamide
CID 126686652
N-(2-nitro-4-thiophen-2-ylphenyl)benzamide
CID 91406770
2-benzamidobenzamide
CID 702115
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-(2,3-difluorophenyl)benzamide
CID 139202270

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide?
The IUPAC name of N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide (CID 154635937) is N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide.
What is the SMILES notation for N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide?
The canonical SMILES for N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide is O=C(Nc1cccc2cccc(C#Cc3cccs3)c12)c1ccccc1.
What is the InChIKey of N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide?
The InChIKey is ONIUFYKBOKWZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NOS/c25-23(19-7-2-1-3-8-19)24-21-13-5-11-17-9-4-10-18(22(17)21)14-15-20-12-6-16-26-20/h1-13,16H,(H,24,25).
What are the key properties of N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide?
N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide has a molecular weight of 353.45 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide is sourced from PubChem (CID 154635937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).