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

C21H23N5OS — CID 8686002

IUPACN-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)N(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H23N5OS/c1-15-8-3-6-12-18(15)26-21(22-23-24-26)28-14-20(27)25(2)19-13-7-10-16-9-4-5-11-17(16)19/h3-6,8-9,11-12,19H,7,10,13-14H2,1-2H3/t19-/m0/s1
InChIKeySRQKQCOQVDYYRZ-IBGZPJMESA-N
MW393.52 g/mol
LogP3.60
Rot. Bonds5

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

N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 8686002) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID8686002
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)N(C)[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H23N5OS/c1-15-8-3-6-12-18(15)26-21(22-23-24-26)28-14-20(27)25(2)19-13-7-10-16-9-4-5-11-17(16)19/h3-6,8-9,11-12,19H,7,10,13-14H2,1-2H3/t19-/m0/s1
InChIKeySRQKQCOQVDYYRZ-IBGZPJMESA-N
XLogP3.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8659167
N-methyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41042492
N-methyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51259223
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 134034430
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7646809
N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51183728
2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 135957876
N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51280562
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9456069
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8852681
N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577219
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51190736

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 8686002) is N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccccc1-n1nnnc1SCC(=O)N(C)[C@H]1CCCc2ccccc21.
What is the InChIKey of N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SRQKQCOQVDYYRZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N5OS/c1-15-8-3-6-12-18(15)26-21(22-23-24-26)28-14-20(27)25(2)19-13-7-10-16-9-4-5-11-17(16)19/h3-6,8-9,11-12,19H,7,10,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 393.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 8686002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).