2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C20H25N7OS — CID 46639372

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C20H25N7OS/c1-14-19(15(2)26(23-14)16-9-5-3-6-10-16)21-18(28)13-29-20-22-24-25-27(20)17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,21,28)
InChIKeyGOZBERHOZTUCGB-UHFFFAOYSA-N
MW411.54 g/mol
LogP3.71
Rot. Bonds6

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 46639372) has the molecular formula C20H25N7OS and a molecular weight of 411.54 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID46639372
Molecular FormulaC20H25N7OS
Molecular Weight411.54 g/mol
Exact Mass411.18
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C20H25N7OS/c1-14-19(15(2)26(23-14)16-9-5-3-6-10-16)21-18(28)13-29-20-22-24-25-27(20)17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,21,28)
InChIKeyGOZBERHOZTUCGB-UHFFFAOYSA-N
XLogP3.71
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 51258532
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34398137
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 30051226
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 46670710
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 46639372) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnnn1C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is GOZBERHOZTUCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7OS/c1-14-19(15(2)26(23-14)16-9-5-3-6-10-16)21-18(28)13-29-20-22-24-25-27(20)17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3,(H,21,28).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 411.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 46639372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).