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

C22H18ClN5O2S — CID 1309478

IUPAC2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C22H18ClN5O2S/c1-15-7-10-17(13-20(15)23)28-22(25-26-27-28)31-14-21(29)24-16-8-11-19(12-9-16)30-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,29)
InChIKeyUWIXOHMOYPNCRF-UHFFFAOYSA-N
MW451.94 g/mol
LogP5.15
Rot. Bonds7

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

2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide (PubChem CID 1309478) has the molecular formula C22H18ClN5O2S and a molecular weight of 451.94 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide
PubChem CID1309478
Molecular FormulaC22H18ClN5O2S
Molecular Weight451.94 g/mol
Exact Mass451.09
IUPAC Name2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C22H18ClN5O2S/c1-15-7-10-17(13-20(15)23)28-22(25-26-27-28)31-14-21(29)24-16-8-11-19(12-9-16)30-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,29)
InChIKeyUWIXOHMOYPNCRF-UHFFFAOYSA-N
XLogP5.15
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.94
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7455377
N-(4-acetamidophenyl)-2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7455421
N-(3-chloro-4-methylphenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8858057
N-(3-chloro-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2595811
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 1075019
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1175593
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8805938
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
4-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 16649170
N-(3-chloro-4-fluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2596083

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide (CID 1309478) is 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide?
The InChIKey is UWIXOHMOYPNCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2S/c1-15-7-10-17(13-20(15)23)28-22(25-26-27-28)31-14-21(29)24-16-8-11-19(12-9-16)30-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,29).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide?
2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide has a molecular weight of 451.94 g/mol, XLogP of 5.15, 7 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-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 1309478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).