N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide

C18H22N2O3S — CID 41267217

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-8-10-15(11-9-14)12-18(21)19-13-16-6-4-5-7-17(16)24(22,23)20(2)3/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyUDYUNIZEAAOJHQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.10
Rot. Bonds6

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide (PubChem CID 41267217) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
PubChem CID41267217
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-8-10-15(11-9-14)12-18(21)19-13-16-6-4-5-7-17(16)24(22,23)20(2)3/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyUDYUNIZEAAOJHQ-UHFFFAOYSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(N-ethyl-3,5-dimethylanilino)acetamide
CID 55865470
3-(3-chloro-4-methylphenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 18140580
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41430913
4-tert-butyl-N-[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 26060387
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 51319097
2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29449798
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56538624

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide (CID 41267217) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is UDYUNIZEAAOJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-8-10-15(11-9-14)12-18(21)19-13-16-6-4-5-7-17(16)24(22,23)20(2)3/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 41267217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).