2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C20H23N5OS — CID 7532918

IUPAC2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CSc2nnnn2-c2c(C)cccc2C)cc1
InChIInChI=1S/C20H23N5OS/c1-14-8-10-17(11-9-14)12-24(4)18(26)13-27-20-21-22-23-25(20)19-15(2)6-5-7-16(19)3/h5-11H,12-13H2,1-4H3
InChIKeyHKDMUYBPTKJMJK-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.34
Rot. Bonds6

About 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 7532918) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID7532918
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CSc2nnnn2-c2c(C)cccc2C)cc1
InChIInChI=1S/C20H23N5OS/c1-14-8-10-17(11-9-14)12-24(4)18(26)13-27-20-21-22-23-25(20)19-15(2)6-5-7-16(19)3/h5-11H,12-13H2,1-4H3
InChIKeyHKDMUYBPTKJMJK-UHFFFAOYSA-N
XLogP3.34
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 8916923
N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577219
N-methyl-N-[(4-methylphenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659039
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27916819
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7647359
N-[(4-methylphenyl)methyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 8577215
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577235
N-(furan-2-ylmethyl)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 30552387
N-methyl-N-[(4-methylphenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895645
N-benzyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 18077306
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 8916937
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 37285792

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 7532918) is 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CSc2nnnn2-c2c(C)cccc2C)cc1.
What is the InChIKey of 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is HKDMUYBPTKJMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-8-10-17(11-9-14)12-24(4)18(26)13-27-20-21-22-23-25(20)19-15(2)6-5-7-16(19)3/h5-11H,12-13H2,1-4H3.
What are the key properties of 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 381.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7532918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).