N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C22H29N5O2S — CID 7856080

IUPACN-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29N5O2S/c1-14-3-4-19(29-2)18(5-14)27-21(24-25-26-27)30-12-20(28)23-13-22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,15-17H,6-13H2,1-2H3,(H,23,28)
InChIKeyMZSSQKBMVJWOQC-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.40
Rot. Bonds7

About N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7856080) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7856080
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC NameN-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H29N5O2S/c1-14-3-4-19(29-2)18(5-14)27-21(24-25-26-27)30-12-20(28)23-13-22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,15-17H,6-13H2,1-2H3,(H,23,28)
InChIKeyMZSSQKBMVJWOQC-UHFFFAOYSA-N
XLogP3.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2608749
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7856074
N-(1-adamantylmethyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661042
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2468080
N-(2,3-dimethylcyclohexyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3988913
N-(1-adamantylmethyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8860480
1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 2595136
N-(5-chloro-2-pyridinyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2460477
N-(butylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46617676
N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8682885
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2609128
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 46677168

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7856080) is N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(C)cc1-n1nnnc1SCC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is MZSSQKBMVJWOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-14-3-4-19(29-2)18(5-14)27-21(24-25-26-27)30-12-20(28)23-13-22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,15-17H,6-13H2,1-2H3,(H,23,28).
What are the key properties of N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 427.57 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7856080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).