N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

C17H22N6O2S — CID 1132644

IUPACN-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C17H22N6O2S/c1-12(24)18-13-7-9-14(10-8-13)19-16(25)11-26-17-20-21-22-23(17)15-5-3-2-4-6-15/h7-10,15H,2-6,11H2,1H3,(H,18,24)(H,19,25)
InChIKeyZNEZKXBCHGJGEX-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.87
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1132644) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
PubChem CID1132644
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC NameN-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C17H22N6O2S/c1-12(24)18-13-7-9-14(10-8-13)19-16(25)11-26-17-20-21-22-23(17)15-5-3-2-4-6-15/h7-10,15H,2-6,11H2,1H3,(H,18,24)(H,19,25)
InChIKeyZNEZKXBCHGJGEX-UHFFFAOYSA-N
XLogP2.87
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (CID 1132644) is N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZNEZKXBCHGJGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-12(24)18-13-7-9-14(10-8-13)19-16(25)11-26-17-20-21-22-23(17)15-5-3-2-4-6-15/h7-10,15H,2-6,11H2,1H3,(H,18,24)(H,19,25).
What are the key properties of N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 374.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1132644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).