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

C18H26N6OS — CID 8828799

IUPAC2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2nnnn2-c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C18H26N6OS/c1-4-23-7-5-15(6-8-23)19-17(25)12-26-18-20-21-22-24(18)16-10-13(2)9-14(3)11-16/h9-11,15H,4-8,12H2,1-3H3,(H,19,25)
InChIKeyICGDKDASDIGXPK-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.97
Rot. Bonds6

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

2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 8828799) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID8828799
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2nnnn2-c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C18H26N6OS/c1-4-23-7-5-15(6-8-23)19-17(25)12-26-18-20-21-22-24(18)16-10-13(2)9-14(3)11-16/h9-11,15H,4-8,12H2,1-3H3,(H,19,25)
InChIKeyICGDKDASDIGXPK-UHFFFAOYSA-N
XLogP1.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8693588
N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684683
N-cycloheptyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5023193
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
CID 858457
N-cyclohexyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2986131
N-cyclopentyl-2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetamide
CID 3229008
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 37324425
2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 35528661
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 37324380
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 8828652
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1071313

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide (CID 8828799) is 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CSc2nnnn2-c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is ICGDKDASDIGXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-4-23-7-5-15(6-8-23)19-17(25)12-26-18-20-21-22-24(18)16-10-13(2)9-14(3)11-16/h9-11,15H,4-8,12H2,1-3H3,(H,19,25).
What are the key properties of 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide?
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 8828799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).