2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide

C23H28N6O2S — CID 42070616

IUPAC2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnnn1-c1cccc(C)c1C
InChIInChI=1S/C23H28N6O2S/c1-5-13-28(14-21(30)24-19-11-7-6-9-17(19)3)22(31)15-32-23-25-26-27-29(23)20-12-8-10-16(2)18(20)4/h6-12H,5,13-15H2,1-4H3,(H,24,30)
InChIKeyAZZNBJLBUIGWJD-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.56
Rot. Bonds9

About 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide

2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 42070616) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID42070616
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC Name2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnnn1-c1cccc(C)c1C
InChIInChI=1S/C23H28N6O2S/c1-5-13-28(14-21(30)24-19-11-7-6-9-17(19)3)22(31)15-32-23-25-26-27-29(23)20-12-8-10-16(2)18(20)4/h6-12H,5,13-15H2,1-4H3,(H,24,30)
InChIKeyAZZNBJLBUIGWJD-UHFFFAOYSA-N
XLogP3.56
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylphenyl)-2-[[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]acetamide
CID 41425102
N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 26644104
N-[(4-methylphenyl)methyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 8577215
N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 26643650
N-(2-methylphenyl)-2-[propyl-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]acetamide
CID 30051052
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16649469
2-[[2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 31979824
2-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 42374590
N-(2-methylphenyl)-2-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-propylamino]acetamide
CID 30060625
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
CID 3369531
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide (CID 42070616) is 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nnnn1-c1cccc(C)c1C.
What is the InChIKey of 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is AZZNBJLBUIGWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-5-13-28(14-21(30)24-19-11-7-6-9-17(19)3)22(31)15-32-23-25-26-27-29(23)20-12-8-10-16(2)18(20)4/h6-12H,5,13-15H2,1-4H3,(H,24,30).
What are the key properties of 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide?
2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 42070616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).