N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

C18H18ClN5OS — CID 11501946

IUPACN-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)c1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClN5OS/c1-12(2)13-7-3-6-10-16(13)24-18(21-22-23-24)26-11-17(25)20-15-9-5-4-8-14(15)19/h3-10,12H,11H2,1-2H3,(H,20,25)
InChIKeyZMGFZYSMNUIEPE-UHFFFAOYSA-N
MW387.90 g/mol
LogP4.17
Rot. Bonds6

About N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 11501946) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID11501946
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC NameN-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)c1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClN5OS/c1-12(2)13-7-3-6-10-16(13)24-18(21-22-23-24)26-11-17(25)20-15-9-5-4-8-14(15)19/h3-10,12H,11H2,1-2H3,(H,20,25)
InChIKeyZMGFZYSMNUIEPE-UHFFFAOYSA-N
XLogP4.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 11501946) is N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is CC(C)c1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ZMGFZYSMNUIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-12(2)13-7-3-6-10-16(13)24-18(21-22-23-24)26-11-17(25)20-15-9-5-4-8-14(15)19/h3-10,12H,11H2,1-2H3,(H,20,25).
What are the key properties of N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 387.90 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-(2-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 11501946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).