N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide

C19H22N4O3S2 — CID 55540372

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide
SMILESCc1nc2ccc(NCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)cc2s1
InChIInChI=1S/C19H22N4O3S2/c1-13-22-16-9-8-15(10-17(16)27-13)20-12-19(24)21-11-14-6-4-5-7-18(14)28(25,26)23(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,24)
InChIKeyGRFGYYHHULVCOI-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.58
Rot. Bonds7

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide (PubChem CID 55540372) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide
PubChem CID55540372
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide
SMILESCc1nc2ccc(NCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)cc2s1
InChIInChI=1S/C19H22N4O3S2/c1-13-22-16-9-8-15(10-17(16)27-13)20-12-19(24)21-11-14-6-4-5-7-18(14)28(25,26)23(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,24)
InChIKeyGRFGYYHHULVCOI-UHFFFAOYSA-N
XLogP2.58
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 29455429
2-(4-bromoanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29449798
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide
CID 75413363
2-(3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 46472171
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 29455899
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6624557
4-tert-butyl-N-[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 26060387
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140563

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide (CID 55540372) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide is Cc1nc2ccc(NCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)cc2s1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide?
The InChIKey is GRFGYYHHULVCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-13-22-16-9-8-15(10-17(16)27-13)20-12-19(24)21-11-14-6-4-5-7-18(14)28(25,26)23(2)3/h4-10,20H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide has a molecular weight of 418.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]acetamide is sourced from PubChem (CID 55540372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).