2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide

C25H19ClN4OS — CID 23095277

IUPAC2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
SMILESCc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN4OS/c1-16-13-22-23(14-21(16)27-25(31)15-32-19-11-9-18(26)10-12-19)29-30(28-22)24-8-4-6-17-5-2-3-7-20(17)24/h2-14H,15H2,1H3,(H,27,31)
InChIKeyVEXBRZVGTGOBIH-UHFFFAOYSA-N
MW458.97 g/mol
LogP6.27
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide (PubChem CID 23095277) has the molecular formula C25H19ClN4OS and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
PubChem CID23095277
Molecular FormulaC25H19ClN4OS
Molecular Weight458.97 g/mol
Exact Mass458.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
SMILESCc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN4OS/c1-16-13-22-23(14-21(16)27-25(31)15-32-19-11-9-18(26)10-12-19)29-30(28-22)24-8-4-6-17-5-2-3-7-20(17)24/h2-14H,15H2,1H3,(H,27,31)
InChIKeyVEXBRZVGTGOBIH-UHFFFAOYSA-N
XLogP6.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 23096867
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide
CID 23096402
5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 22781544
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2-(4-nitrophenoxy)acetamide
CID 1291742
2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 1298372
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-chlorophenyl)sulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30333702
3,5-diethoxy-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 21167931
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide (CID 23095277) is 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide is Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The InChIKey is VEXBRZVGTGOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4OS/c1-16-13-22-23(14-21(16)27-25(31)15-32-19-11-9-18(26)10-12-19)29-30(28-22)24-8-4-6-17-5-2-3-7-20(17)24/h2-14H,15H2,1H3,(H,27,31).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 23095277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).