N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C19H22N6O3S — CID 4845449

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C19H22N6O3S/c1-13-7-5-6-8-16(13)19-21-23-25(22-19)12-18(26)20-15-10-9-14(2)17(11-15)29(27,28)24(3)4/h5-11H,12H2,1-4H3,(H,20,26)
InChIKeyASMAPKZOECJDJT-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.85
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 4845449) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID4845449
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C19H22N6O3S/c1-13-7-5-6-8-16(13)19-21-23-25(22-19)12-18(26)20-15-10-9-14(2)17(11-15)29(27,28)24(3)4/h5-11H,12H2,1-4H3,(H,20,26)
InChIKeyASMAPKZOECJDJT-UHFFFAOYSA-N
XLogP1.85
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4022238
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(3-chloro-4-methoxyphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634847
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 4304927
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 4845449) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)n1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is ASMAPKZOECJDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-13-7-5-6-8-16(13)19-21-23-25(22-19)12-18(26)20-15-10-9-14(2)17(11-15)29(27,28)24(3)4/h5-11H,12H2,1-4H3,(H,20,26).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 4845449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).