N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide

C22H16N4OS — CID 2203173

IUPACN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide
SMILESCc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccs1
InChIInChI=1S/C22H16N4OS/c1-14-12-18-19(13-17(14)23-22(27)21-10-5-11-28-21)25-26(24-18)20-9-4-7-15-6-2-3-8-16(15)20/h2-13H,1H3,(H,23,27)
InChIKeyUZKXYKVEQJLOCO-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.20
Rot. Bonds3

About N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide

N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide (PubChem CID 2203173) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide
PubChem CID2203173
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC NameN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide
SMILESCc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccs1
InChIInChI=1S/C22H16N4OS/c1-14-12-18-19(13-17(14)23-22(27)21-10-5-11-28-21)25-26(24-18)20-9-4-7-15-6-2-3-8-16(15)20/h2-13H,1H3,(H,23,27)
InChIKeyUZKXYKVEQJLOCO-UHFFFAOYSA-N
XLogP5.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide (CID 2203173) is N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide is Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccs1.
What is the InChIKey of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide?
The InChIKey is UZKXYKVEQJLOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c1-14-12-18-19(13-17(14)23-22(27)21-10-5-11-28-21)25-26(24-18)20-9-4-7-15-6-2-3-8-16(15)20/h2-13H,1H3,(H,23,27).
What are the key properties of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide?
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2203173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).