N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide

C20H17N5OS — CID 16649457

IUPACN-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc2ccccc2c1)NCc1ccccc1
InChIInChI=1S/C20H17N5OS/c26-19(21-13-15-6-2-1-3-7-15)14-27-20-22-23-24-25(20)18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,26)
InChIKeyFSVQEORYSJHFSM-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.22
Rot. Bonds6

About N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide

N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 16649457) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID16649457
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc2ccccc2c1)NCc1ccccc1
InChIInChI=1S/C20H17N5OS/c26-19(21-13-15-6-2-1-3-7-15)14-27-20-22-23-24-25(20)18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,26)
InChIKeyFSVQEORYSJHFSM-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzylcarbamoyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2617756
N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
N-(5-methyl-1,2-oxazol-3-yl)-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
CID 6491291
N-[(4-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534457
N-[(3-chlorophenyl)methyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661613
2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide
CID 4898766
N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561413
N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 864271
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 42067738
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 585471
2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 1175704
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide (CID 16649457) is N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccc2ccccc2c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FSVQEORYSJHFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-19(21-13-15-6-2-1-3-7-15)14-27-20-22-23-24-25(20)18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,26).
What are the key properties of N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide?
N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 375.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 16649457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).