N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide

C18H23N3O5S2 — CID 24614043

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H23N3O5S2/c1-13-9-10-15(27(23,24)19-2)11-16(13)18(22)20-12-14-7-5-6-8-17(14)28(25,26)21(3)4/h5-11,19H,12H2,1-4H3,(H,20,22)
InChIKeyROUIGHCVCRIABC-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.08
Rot. Bonds7

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 24614043) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID24614043
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H23N3O5S2/c1-13-9-10-15(27(23,24)19-2)11-16(13)18(22)20-12-14-7-5-6-8-17(14)28(25,26)21(3)4/h5-11,19H,12H2,1-4H3,(H,20,22)
InChIKeyROUIGHCVCRIABC-UHFFFAOYSA-N
XLogP1.08
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 51319097
5-bromo-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-fluorobenzamide
CID 30459248
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 51319254
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687228
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-5-(methylsulfamoyl)benzamide
CID 51298085
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24644388
2-methyl-5-(methylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 55489558
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-5-(propan-2-ylsulfamoyl)benzamide
CID 24504746
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 71900376

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide (CID 24614043) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is ROUIGHCVCRIABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-13-9-10-15(27(23,24)19-2)11-16(13)18(22)20-12-14-7-5-6-8-17(14)28(25,26)21(3)4/h5-11,19H,12H2,1-4H3,(H,20,22).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 24614043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).