N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide

C18H24N6O2S — CID 46572586

IUPACN-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
SMILESCCC1CCCCN1C(=O)CSc1nnnn1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H24N6O2S/c1-3-15-8-4-5-10-23(15)17(26)12-27-18-20-21-22-24(18)16-9-6-7-14(11-16)19-13(2)25/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3,(H,19,25)
InChIKeyHFRPBFKXSDIAOI-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.50
Rot. Bonds6

About N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide

N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide (PubChem CID 46572586) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
PubChem CID46572586
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC NameN-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
SMILESCCC1CCCCN1C(=O)CSc1nnnn1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H24N6O2S/c1-3-15-8-4-5-10-23(15)17(26)12-27-18-20-21-22-24(18)16-9-6-7-14(11-16)19-13(2)25/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3,(H,19,25)
InChIKeyHFRPBFKXSDIAOI-UHFFFAOYSA-N
XLogP2.50
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 8860837
N-[3-[5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46479604
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-heptan-2-ylacetamide
CID 55572394
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
1-(2-ethylpiperidin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 78763785
N-[3-[5-(2-phenoxyethylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 46572679
N-[3-[5-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 43055840
2-(3-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 18894939
(2S)-1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxamide
CID 8977257

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide (CID 46572586) is N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide is CCC1CCCCN1C(=O)CSc1nnnn1-c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide?
The InChIKey is HFRPBFKXSDIAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-3-15-8-4-5-10-23(15)17(26)12-27-18-20-21-22-24(18)16-9-6-7-14(11-16)19-13(2)25/h6-7,9,11,15H,3-5,8,10,12H2,1-2H3,(H,19,25).
What are the key properties of N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide?
N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide has a molecular weight of 388.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 46572586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).