2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C21H23N5OS — CID 4880383

IUPAC2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCc1ccccc1-n1nnnc1SC(C)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C21H23N5OS/c1-14-8-3-6-13-19(14)26-21(23-24-25-26)28-15(2)20(27)22-18-12-7-10-16-9-4-5-11-17(16)18/h3-6,8-9,11,13,15,18H,7,10,12H2,1-2H3,(H,22,27)
InChIKeyQNNKILNEUWZAFN-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.65
Rot. Bonds5

About 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 4880383) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID4880383
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCc1ccccc1-n1nnnc1SC(C)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C21H23N5OS/c1-14-8-3-6-13-19(14)26-21(23-24-25-26)28-15(2)20(27)22-18-12-7-10-16-9-4-5-11-17(16)18/h3-6,8-9,11,13,15,18H,7,10,12H2,1-2H3,(H,22,27)
InChIKeyQNNKILNEUWZAFN-UHFFFAOYSA-N
XLogP3.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.65
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
N-benzyl-2-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2974484
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 653790
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 4880383) is 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is Cc1ccccc1-n1nnnc1SC(C)C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is QNNKILNEUWZAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-14-8-3-6-13-19(14)26-21(23-24-25-26)28-15(2)20(27)22-18-12-7-10-16-9-4-5-11-17(16)18/h3-6,8-9,11,13,15,18H,7,10,12H2,1-2H3,(H,22,27).
What are the key properties of 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 393.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 4880383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).