N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C18H19N3O2S3 — CID 9341469

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2cc(CN(C)C(=O)CSc3nnc(SC)s3)ccc2c1
InChIInChI=1S/C18H19N3O2S3/c1-21(16(22)11-25-18-20-19-17(24-3)26-18)10-12-4-5-14-9-15(23-2)7-6-13(14)8-12/h4-9H,10-11H2,1-3H3
InChIKeySDUAHDBGXNGAFB-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.17
Rot. Bonds7

About N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 9341469) has the molecular formula C18H19N3O2S3 and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID9341469
Molecular FormulaC18H19N3O2S3
Molecular Weight405.57 g/mol
Exact Mass405.06
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2cc(CN(C)C(=O)CSc3nnc(SC)s3)ccc2c1
InChIInChI=1S/C18H19N3O2S3/c1-21(16(22)11-25-18-20-19-17(24-3)26-18)10-12-4-5-14-9-15(23-2)7-6-13(14)8-12/h4-9H,10-11H2,1-3H3
InChIKeySDUAHDBGXNGAFB-UHFFFAOYSA-N
XLogP4.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-thiophen-2-ylsulfanylacetamide
CID 30898336
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 27955216
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7378324
N-[(4-ethylphenyl)methyl]-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24522134
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide
CID 46988998
2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9482769
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 78760300
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 9341469) is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COc1ccc2cc(CN(C)C(=O)CSc3nnc(SC)s3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SDUAHDBGXNGAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S3/c1-21(16(22)11-25-18-20-19-17(24-3)26-18)10-12-4-5-14-9-15(23-2)7-6-13(14)8-12/h4-9H,10-11H2,1-3H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 405.57 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9341469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).