N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide

C18H25N7O2S — CID 8565061

IUPACN-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnnn2C)CC1
InChIInChI=1S/C18H25N7O2S/c1-3-14-6-4-5-7-15(14)19-16(26)12-24-8-10-25(11-9-24)17(27)13-28-18-20-21-22-23(18)2/h4-7H,3,8-13H2,1-2H3,(H,19,26)
InChIKeyZFALUSBEMNBLMW-UHFFFAOYSA-N
MW403.51 g/mol
LogP0.65
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide (PubChem CID 8565061) has the molecular formula C18H25N7O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide
PubChem CID8565061
Molecular FormulaC18H25N7O2S
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnnn2C)CC1
InChIInChI=1S/C18H25N7O2S/c1-3-14-6-4-5-7-15(14)19-16(26)12-24-8-10-25(11-9-24)17(27)13-28-18-20-21-22-23(18)2/h4-7H,3,8-13H2,1-2H3,(H,19,26)
InChIKeyZFALUSBEMNBLMW-UHFFFAOYSA-N
XLogP0.65
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide
CID 8594389
2-[4-[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 24657035
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55507108
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402
N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide (CID 8565061) is N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnnn2C)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide?
The InChIKey is ZFALUSBEMNBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2S/c1-3-14-6-4-5-7-15(14)19-16(26)12-24-8-10-25(11-9-24)17(27)13-28-18-20-21-22-23(18)2/h4-7H,3,8-13H2,1-2H3,(H,19,26).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8565061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).