2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide

C18H27N5O2S — CID 51215442

IUPAC2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C18H27N5O2S/c1-13(2)8-7-9-14(3)19-17(24)12-26-18-20-21-22-23(18)15-10-5-6-11-16(15)25-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H,19,24)
InChIKeyBNYGFZJWNXLBOK-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.09
Rot. Bonds10

About 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide (PubChem CID 51215442) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide
PubChem CID51215442
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C18H27N5O2S/c1-13(2)8-7-9-14(3)19-17(24)12-26-18-20-21-22-23(18)15-10-5-6-11-16(15)25-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H,19,24)
InChIKeyBNYGFZJWNXLBOK-UHFFFAOYSA-N
XLogP3.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(dicyclopropylmethyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 31015147
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 51214971
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide
CID 51183959
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 9073912
N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 55398072
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 78761375
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083203
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7455398
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16536120
N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 997307
N-[3-(tert-butylamino)propyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8693582

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide (CID 51215442) is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide is COc1ccccc1-n1nnnc1SCC(=O)NC(C)CCCC(C)C.
What is the InChIKey of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is BNYGFZJWNXLBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-13(2)8-7-9-14(3)19-17(24)12-26-18-20-21-22-23(18)15-10-5-6-11-16(15)25-4/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H,19,24).
What are the key properties of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide?
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 377.51 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 51215442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).