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

C20H23N5O2S — CID 51183959

IUPAC2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CSc1nnnn1-c1ccccc1OC)c1ccccc1
InChIInChI=1S/C20H23N5O2S/c1-3-9-16(15-10-5-4-6-11-15)21-19(26)14-28-20-22-23-24-25(20)17-12-7-8-13-18(17)27-2/h4-8,10-13,16H,3,9,14H2,1-2H3,(H,21,26)
InChIKeyYACFIMWJHXIHNG-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.42
Rot. Bonds9

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

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide (PubChem CID 51183959) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide
PubChem CID51183959
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CSc1nnnn1-c1ccccc1OC)c1ccccc1
InChIInChI=1S/C20H23N5O2S/c1-3-9-16(15-10-5-4-6-11-15)21-19(26)14-28-20-22-23-24-25(20)17-12-7-8-13-18(17)27-2/h4-8,10-13,16H,3,9,14H2,1-2H3,(H,21,26)
InChIKeyYACFIMWJHXIHNG-UHFFFAOYSA-N
XLogP3.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 51215442
N-(dicyclopropylmethyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 31015147
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylbutyl]acetamide
CID 7563038
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7455398
N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 997307
N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3671100
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 51259000
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 78761375
N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16536120
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135
N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16554838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide (CID 51183959) is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CSc1nnnn1-c1ccccc1OC)c1ccccc1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide?
The InChIKey is YACFIMWJHXIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-3-9-16(15-10-5-4-6-11-15)21-19(26)14-28-20-22-23-24-25(20)17-12-7-8-13-18(17)27-2/h4-8,10-13,16H,3,9,14H2,1-2H3,(H,21,26).
What are the key properties of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide?
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylbutyl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.42, 9 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-(1-phenylbutyl)acetamide is sourced from PubChem (CID 51183959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).