N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C18H19N5OS — CID 1130028

IUPACN-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N5OS/c1-3-14-9-7-8-13(2)17(14)19-16(24)12-25-18-20-21-22-23(18)15-10-5-4-6-11-15/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKeyPHTLZVGIWVUVBX-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.26
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1130028) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID1130028
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N5OS/c1-3-14-9-7-8-13(2)17(14)19-16(24)12-25-18-20-21-22-23(18)15-10-5-4-6-11-15/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKeyPHTLZVGIWVUVBX-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 1130028) is N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CCc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PHTLZVGIWVUVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-3-14-9-7-8-13(2)17(14)19-16(24)12-25-18-20-21-22-23(18)15-10-5-4-6-11-15/h4-11H,3,12H2,1-2H3,(H,19,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 353.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1130028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).