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

C17H17N5O3S — CID 2565734

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H17N5O3S/c1-25-15-8-2-12(3-9-15)10-18-16(24)11-26-17-19-20-21-22(17)13-4-6-14(23)7-5-13/h2-9,23H,10-11H2,1H3,(H,18,24)
InChIKeyDOCZAPHJDABMFZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.78
Rot. Bonds7

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

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2565734) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2565734
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H17N5O3S/c1-25-15-8-2-12(3-9-15)10-18-16(24)11-26-17-19-20-21-22(17)13-4-6-14(23)7-5-13/h2-9,23H,10-11H2,1H3,(H,18,24)
InChIKeyDOCZAPHJDABMFZ-UHFFFAOYSA-N
XLogP1.78
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 2565734) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is DOCZAPHJDABMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-25-15-8-2-12(3-9-15)10-18-16(24)11-26-17-19-20-21-22(17)13-4-6-14(23)7-5-13/h2-9,23H,10-11H2,1H3,(H,18,24).
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2565734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).