2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C19H19N5OS — CID 4124628

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC1CCCc2ccccc21
InChIInChI=1S/C19H19N5OS/c25-18(20-17-12-6-8-14-7-4-5-11-16(14)17)13-26-19-21-22-23-24(19)15-9-2-1-3-10-15/h1-5,7,9-11,17H,6,8,12-13H2,(H,20,25)
InChIKeyHAPBPZNMTFIPDY-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.95
Rot. Bonds5

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4124628) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4124628
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC1CCCc2ccccc21
InChIInChI=1S/C19H19N5OS/c25-18(20-17-12-6-8-14-7-4-5-11-16(14)17)13-26-19-21-22-23-24(19)15-9-2-1-3-10-15/h1-5,7,9-11,17H,6,8,12-13H2,(H,20,25)
InChIKeyHAPBPZNMTFIPDY-UHFFFAOYSA-N
XLogP2.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4124628) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CSc1nnnn1-c1ccccc1)NC1CCCc2ccccc21.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is HAPBPZNMTFIPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-18(20-17-12-6-8-14-7-4-5-11-16(14)17)13-26-19-21-22-23-24(19)15-9-2-1-3-10-15/h1-5,7,9-11,17H,6,8,12-13H2,(H,20,25).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4124628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).