N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C21H19N5OS — CID 46797235

IUPACN-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(NC(=O)CSc1nnnn1-c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H19N5OS/c1-15(18-13-7-9-16-8-5-6-12-19(16)18)22-20(27)14-28-21-23-24-25-26(21)17-10-3-2-4-11-17/h2-13,15H,14H2,1H3,(H,22,27)
InChIKeyAOGBGKAENHZQJO-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.79
Rot. Bonds6

About N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 46797235) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID46797235
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(NC(=O)CSc1nnnn1-c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H19N5OS/c1-15(18-13-7-9-16-8-5-6-12-19(16)18)22-20(27)14-28-21-23-24-25-26(21)17-10-3-2-4-11-17/h2-13,15H,14H2,1H3,(H,22,27)
InChIKeyAOGBGKAENHZQJO-UHFFFAOYSA-N
XLogP3.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8691771
N-[(1R)-1-naphthalen-1-ylethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9345345
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621321
N-[1-(3-chlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 18131067
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757116
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 8858207
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8883228
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 46665664
N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 1244330
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8861294

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 46797235) is N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CC(NC(=O)CSc1nnnn1-c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is AOGBGKAENHZQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-15(18-13-7-9-16-8-5-6-12-19(16)18)22-20(27)14-28-21-23-24-25-26(21)17-10-3-2-4-11-17/h2-13,15H,14H2,1H3,(H,22,27).
What are the key properties of N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 389.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 46797235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).