2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C19H21N5O2S — CID 1315738

IUPAC2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H21N5O2S/c1-12-8-13(2)18(14(3)9-12)20-17(25)11-27-19-21-22-23-24(19)15-6-5-7-16(10-15)26-4/h5-10H,11H2,1-4H3,(H,20,25)
InChIKeyMKUKVBGQSYPOND-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.33
Rot. Bonds6

About 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 1315738) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID1315738
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H21N5O2S/c1-12-8-13(2)18(14(3)9-12)20-17(25)11-27-19-21-22-23-24(19)15-6-5-7-16(10-15)26-4/h5-10H,11H2,1-4H3,(H,20,25)
InChIKeyMKUKVBGQSYPOND-UHFFFAOYSA-N
XLogP3.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]-3-methoxyaniline
CID 596368
N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 3525947
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 654070
N-(2-methoxyphenyl)-2-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1075013
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
2-[1-(4-Ethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(3-hydroxy-phenyl)-acetamide
CID 1172285
N-(3-Amino-4-methyl-phenyl)-2-[1-(2-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1173903

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 1315738) is 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is COc1cccc(-n2nnnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MKUKVBGQSYPOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-8-13(2)18(14(3)9-12)20-17(25)11-27-19-21-22-23-24(19)15-6-5-7-16(10-15)26-4/h5-10H,11H2,1-4H3,(H,20,25).
What are the key properties of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 383.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 1315738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).