2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

C18H19N5O2S — CID 647977

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C18H19N5O2S/c1-25-16-9-7-14(8-10-16)11-19-17(24)13-26-18-20-21-22-23(18)12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyXGKXKLVQEGSDQA-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.14
Rot. Bonds8

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 647977) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID647977
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C18H19N5O2S/c1-25-16-9-7-14(8-10-16)11-19-17(24)13-26-18-20-21-22-23(18)12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyXGKXKLVQEGSDQA-UHFFFAOYSA-N
XLogP2.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2630158
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 972442
Cyclopropanecarboxylic acid {5-[(4-methoxy-benzylcarbamoyl)-methylsulfanyl]-[1,3,4]thiadiazol-2-yl}-amide
CID 1462693
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
Cambridge id 6964866
CID 2294624
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
N-Benzo[1,3]dioxol-5-ylmethyl-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647143
N-Benzo[1,3]dioxol-5-ylmethyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648292
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylcyclohexyl)acetamide
CID 665003
N-cyclohexyl-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1260661
2-[(1-benzyl-1H-tetrazol-5-yl)thio]-N-(2-methoxyphenyl)acetamide
CID 1319426

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 647977) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSc2nnnn2Cc2ccccc2)cc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is XGKXKLVQEGSDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-16-9-7-14(8-10-16)11-19-17(24)13-26-18-20-21-22-23(18)12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 647977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).