2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide

C17H17N5O2S — CID 27135863

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1
InChIInChI=1S/C17H17N5O2S/c1-24-15-9-5-8-14(10-15)18-16(23)12-25-17-19-20-21-22(17)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyYHCYLFRPSAFLKE-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.46
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 27135863) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID27135863
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1
InChIInChI=1S/C17H17N5O2S/c1-24-15-9-5-8-14(10-15)18-16(23)12-25-17-19-20-21-22(17)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyYHCYLFRPSAFLKE-UHFFFAOYSA-N
XLogP2.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 6491205
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27135865
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 7660799
2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 18099111
N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 16649456
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 27136128
N-(3-acetylphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1075024
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
N-(2,5-dichlorophenyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 55432186
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 16570865
N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 3169643
2-[[5-[1-(3-methoxyphenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 43883524

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide (CID 27135863) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is YHCYLFRPSAFLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-15-9-5-8-14(10-15)18-16(23)12-25-17-19-20-21-22(17)11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.46, 7 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 27135863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).