2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

C17H16ClN5O2S — CID 6491214

IUPAC2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H16ClN5O2S/c1-11-7-8-12(9-13(11)18)23-17(20-21-22-23)26-10-16(24)19-14-5-3-4-6-15(14)25-2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyVZDFDONJCNSIFG-UHFFFAOYSA-N
MW389.87 g/mol
LogP3.36
Rot. Bonds6

About 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 6491214) has the molecular formula C17H16ClN5O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID6491214
Molecular FormulaC17H16ClN5O2S
Molecular Weight389.87 g/mol
Exact Mass389.07
IUPAC Name2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H16ClN5O2S/c1-11-7-8-12(9-13(11)18)23-17(20-21-22-23)26-10-16(24)19-14-5-3-4-6-15(14)25-2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyVZDFDONJCNSIFG-UHFFFAOYSA-N
XLogP3.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 6491214) is 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is VZDFDONJCNSIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2S/c1-11-7-8-12(9-13(11)18)23-17(20-21-22-23)26-10-16(24)19-14-5-3-4-6-15(14)25-2/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 389.87 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 6491214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).