2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C22H23N7OS — CID 26651008

IUPAC2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H23N7OS/c1-14-5-8-18(9-6-14)28-20(12-17(4)25-28)23-21(30)13-31-22-24-26-27-29(22)19-10-7-15(2)16(3)11-19/h5-12H,13H2,1-4H3,(H,23,30)
InChIKeyIBFOHMDIIDNQFR-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.81
Rot. Bonds6

About 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 26651008) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID26651008
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H23N7OS/c1-14-5-8-18(9-6-14)28-20(12-17(4)25-28)23-21(30)13-31-22-24-26-27-29(22)19-10-7-15(2)16(3)11-19/h5-12H,13H2,1-4H3,(H,23,30)
InChIKeyIBFOHMDIIDNQFR-UHFFFAOYSA-N
XLogP3.81
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9438459
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 26575486
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9450458
N-(3-chloro-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2595811
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7661482
N-(2,6-dichloro-3-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616052
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 29403261
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 51287849
N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616969
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 26651008) is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is IBFOHMDIIDNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-14-5-8-18(9-6-14)28-20(12-17(4)25-28)23-21(30)13-31-22-24-26-27-29(22)19-10-7-15(2)16(3)11-19/h5-12H,13H2,1-4H3,(H,23,30).
What are the key properties of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 433.54 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 26651008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).