2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone

C18H25N5O3S — CID 652400

IUPAC2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(-n2nnnc2SCC(=O)N2C(C)CCCC2C)c(OC)c1
InChIInChI=1S/C18H25N5O3S/c1-12-6-5-7-13(2)22(12)17(24)11-27-18-19-20-21-23(18)15-9-8-14(25-3)10-16(15)26-4/h8-10,12-13H,5-7,11H2,1-4H3
InChIKeyRYFCRQICUPSHRP-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.56
Rot. Bonds6

About 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 652400) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID652400
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(-n2nnnc2SCC(=O)N2C(C)CCCC2C)c(OC)c1
InChIInChI=1S/C18H25N5O3S/c1-12-6-5-7-13(2)22(12)17(24)11-27-18-19-20-21-23(18)15-9-8-14(25-3)10-16(15)26-4/h8-10,12-13H,5-7,11H2,1-4H3
InChIKeyRYFCRQICUPSHRP-UHFFFAOYSA-N
XLogP2.56
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
CID 1263400
1-[2-[1-(2-Methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 24818352
4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetyl)morpholine
CID 859708
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1073205
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
2-[[6-(2,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N,N-diethylacetamide
CID 3256619
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 16321147
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 25163299
2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 857372
N-cyclopropyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24979091
N-cyclopentyl-2-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]acetamide
CID 714083
2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 1440805

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 652400) is 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone is COc1ccc(-n2nnnc2SCC(=O)N2C(C)CCCC2C)c(OC)c1.
What is the InChIKey of 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is RYFCRQICUPSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-12-6-5-7-13(2)22(12)17(24)11-27-18-19-20-21-23(18)15-9-8-14(25-3)10-16(15)26-4/h8-10,12-13H,5-7,11H2,1-4H3.
What are the key properties of 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 391.50 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 652400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).