2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

C18H23N7OS — CID 51287849

IUPAC2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCCCCc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C18H23N7OS/c1-4-5-6-14-7-9-15(10-8-14)25-18(20-22-23-25)27-12-17(26)19-16-11-13(2)21-24(16)3/h7-11H,4-6,12H2,1-3H3,(H,19,26)
InChIKeyBSUNFTQROCWJEW-UHFFFAOYSA-N
MW385.50 g/mol
LogP2.78
Rot. Bonds8

About 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 51287849) has the molecular formula C18H23N7OS and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID51287849
Molecular FormulaC18H23N7OS
Molecular Weight385.50 g/mol
Exact Mass385.17
IUPAC Name2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCCCCc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C18H23N7OS/c1-4-5-6-14-7-9-15(10-8-14)25-18(20-22-23-25)27-12-17(26)19-16-11-13(2)21-24(16)3/h7-11H,4-6,12H2,1-3H3,(H,19,26)
InChIKeyBSUNFTQROCWJEW-UHFFFAOYSA-N
XLogP2.78
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 9360298
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 16535892
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
CID 7455481
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9438459
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 26651008
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306550
N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449734
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 112780362
N'-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 9360183
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 16535874
1-(4-butylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7856915

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 51287849) is 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is BSUNFTQROCWJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7OS/c1-4-5-6-14-7-9-15(10-8-14)25-18(20-22-23-25)27-12-17(26)19-16-11-13(2)21-24(16)3/h7-11H,4-6,12H2,1-3H3,(H,19,26).
What are the key properties of 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 385.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 51287849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).