N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide

C18H23N5OS — CID 3228993

IUPACN-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2c1CCCC2)NC1CCCC1
InChIInChI=1S/C18H23N5OS/c24-17(19-14-8-2-3-9-14)12-25-18-20-21-22-23(18)16-11-5-7-13-6-1-4-10-15(13)16/h5,7,11,14H,1-4,6,8-10,12H2,(H,19,24)
InChIKeyFKTVRWOFIFGOFR-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.69
Rot. Bonds5

About N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide

N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 3228993) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide
PubChem CID3228993
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC NameN-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2c1CCCC2)NC1CCCC1
InChIInChI=1S/C18H23N5OS/c24-17(19-14-8-2-3-9-14)12-25-18-20-21-22-23(18)16-11-5-7-13-6-1-4-10-15(13)16/h5,7,11,14H,1-4,6,8-10,12H2,(H,19,24)
InChIKeyFKTVRWOFIFGOFR-UHFFFAOYSA-N
XLogP2.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
2-[1-(2,5-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-methyl-acetamide
CID 857583
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 1164138
1-{[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl}-1,2,3,4-tetrahydroquinoline
CID 1250302
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2087821
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2485684
1-Pyrrolidin-1-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228994

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide (CID 3228993) is N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2c1CCCC2)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is FKTVRWOFIFGOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-17(19-14-8-2-3-9-14)12-25-18-20-21-22-23(18)16-11-5-7-13-6-1-4-10-15(13)16/h5,7,11,14H,1-4,6,8-10,12H2,(H,19,24).
What are the key properties of N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 357.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 3228993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).