N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide

C16H25N3O3S — CID 120666406

IUPACN-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2NCCCC2(C)C)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(20)19-13-5-7-14(8-6-13)23(21,22)18-11-15-16(2,3)9-4-10-17-15/h5-8,15,17-18H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyLHAUYNAGKZTUPK-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.70
Rot. Bonds5

About N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 120666406) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID120666406
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC2NCCCC2(C)C)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(20)19-13-5-7-14(8-6-13)23(21,22)18-11-15-16(2,3)9-4-10-17-15/h5-8,15,17-18H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyLHAUYNAGKZTUPK-UHFFFAOYSA-N
XLogP1.70
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
CID 120666289
methyl 3-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]benzoate;hydrochloride
CID 120666424
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trifluorobenzenesulfonamide
CID 120714107
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 120666342
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
1-[[(4-acetamidophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450108
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353
4-chloro-N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315562
1-cyclopentyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]methanesulfonamide
CID 119052640

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide (CID 120666406) is N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC2NCCCC2(C)C)cc1.
What is the InChIKey of N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is LHAUYNAGKZTUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(20)19-13-5-7-14(8-6-13)23(21,22)18-11-15-16(2,3)9-4-10-17-15/h5-8,15,17-18H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 120666406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).