2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide

C21H15N7OS — CID 4898766

IUPAC2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide
SMILESO=C(CSc1nnnn1-c1ccc2ccccc2c1)Nc1ccc2nccnc2c1
InChIInChI=1S/C21H15N7OS/c29-20(24-16-6-8-18-19(12-16)23-10-9-22-18)13-30-21-25-26-27-28(21)17-7-5-14-3-1-2-4-15(14)11-17/h1-12H,13H2,(H,24,29)
InChIKeyGCTZUXKHGAQQCI-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.49
Rot. Bonds5

About 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide

2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide (PubChem CID 4898766) has the molecular formula C21H15N7OS and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide.

Molecular Properties

Compound Name2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide
PubChem CID4898766
Molecular FormulaC21H15N7OS
Molecular Weight413.47 g/mol
Exact Mass413.11
IUPAC Name2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide
SMILESO=C(CSc1nnnn1-c1ccc2ccccc2c1)Nc1ccc2nccnc2c1
InChIInChI=1S/C21H15N7OS/c29-20(24-16-6-8-18-19(12-16)23-10-9-22-18)13-30-21-25-26-27-28(21)17-7-5-14-3-1-2-4-15(14)11-17/h1-12H,13H2,(H,24,29)
InChIKeyGCTZUXKHGAQQCI-UHFFFAOYSA-N
XLogP3.49
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide 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-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
CID 6491291
N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
CID 16649457
N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 6499887
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1175593
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
N-(3,4-dibromophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3938077
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7661482
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 1455252
N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide?
The IUPAC name of 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide (CID 4898766) is 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide.
What is the SMILES notation for 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide?
The canonical SMILES for 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide is O=C(CSc1nnnn1-c1ccc2ccccc2c1)Nc1ccc2nccnc2c1.
What is the InChIKey of 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide?
The InChIKey is GCTZUXKHGAQQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7OS/c29-20(24-16-6-8-18-19(12-16)23-10-9-22-18)13-30-21-25-26-27-28(21)17-7-5-14-3-1-2-4-15(14)11-17/h1-12H,13H2,(H,24,29).
What are the key properties of 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide?
2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide has a molecular weight of 413.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide is sourced from PubChem (CID 4898766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).