2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone

C15H24N4O3S — CID 2711978

IUPAC2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C15H24N4O3S/c1-16(2)23(21,22)19(14-7-5-4-6-8-14)13-15(20)18-11-9-17(3)10-12-18/h4-8H,9-13H2,1-3H3
InChIKeySXQWQADHMLIOMM-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.07
Rot. Bonds5

About 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone

2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 2711978) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID2711978
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C15H24N4O3S/c1-16(2)23(21,22)19(14-7-5-4-6-8-14)13-15(20)18-11-9-17(3)10-12-18/h4-8H,9-13H2,1-3H3
InChIKeySXQWQADHMLIOMM-UHFFFAOYSA-N
XLogP0.07
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
CID 1289654
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(4-phenoxyphenyl)benzenesulfonamide
CID 2975245
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53283438
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
CID 3546283
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017255
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28580190
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156021
1-(4-benzylpiperazin-1-yl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]ethanone
CID 99946476
N-tert-butyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 3963871
methyl 2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155867

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone (CID 2711978) is 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is SXQWQADHMLIOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-16(2)23(21,22)19(14-7-5-4-6-8-14)13-15(20)18-11-9-17(3)10-12-18/h4-8H,9-13H2,1-3H3.
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 340.45 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2711978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).