2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide

C16H13ClFN5OS — CID 4266435

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN5OS/c1-10-8-12(18)4-7-14(10)19-15(24)9-25-16-20-21-22-23(16)13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,19,24)
InChIKeyLHJLFDOCDWTWII-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.49
Rot. Bonds5

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 4266435) has the molecular formula C16H13ClFN5OS and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
PubChem CID4266435
Molecular FormulaC16H13ClFN5OS
Molecular Weight377.83 g/mol
Exact Mass377.05
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN5OS/c1-10-8-12(18)4-7-14(10)19-15(24)9-25-16-20-21-22-23(16)13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,19,24)
InChIKeyLHJLFDOCDWTWII-UHFFFAOYSA-N
XLogP3.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 5275183
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
N-(2-chlorophenyl)-2-(1-mesityl-1H-tetrazol-5-ylthio)acetamide
CID 2810449
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
N-(4-chlorophenyl)-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 2997817
N-(4-chlorophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3140953
2-[1-(3-chloro-2-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275044
N-(4-chloro-2-methyl-phenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7862278
N-(2-phenylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 15945232
2-[1-(5-chloro-2-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 15956706

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide (CID 4266435) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)ccc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is LHJLFDOCDWTWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5OS/c1-10-8-12(18)4-7-14(10)19-15(24)9-25-16-20-21-22-23(16)13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 377.83 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 4266435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).