3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide

C17H26BrN3O3S — CID 126853012

IUPAC3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)CCc2ccccc2Br)CC1
InChIInChI=1S/C17H26BrN3O3S/c1-20(2)25(23,24)21-11-9-14(10-12-21)13-19-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,14H,7-13H2,1-2H3,(H,19,22)
InChIKeyMEBBYTFOKQVLLJ-UHFFFAOYSA-N
MW432.38 g/mol
LogP2.02
Rot. Bonds7

About 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide

3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide (PubChem CID 126853012) has the molecular formula C17H26BrN3O3S and a molecular weight of 432.38 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide
PubChem CID126853012
Molecular FormulaC17H26BrN3O3S
Molecular Weight432.38 g/mol
Exact Mass431.09
IUPAC Name3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)CCc2ccccc2Br)CC1
InChIInChI=1S/C17H26BrN3O3S/c1-20(2)25(23,24)21-11-9-14(10-12-21)13-19-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,14H,7-13H2,1-2H3,(H,19,22)
InChIKeyMEBBYTFOKQVLLJ-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 122161796
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 122161831
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
3-(2-bromophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 47282656
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 122161792
3-(2-bromophenyl)-N-[[1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]propanamide
CID 71806853
3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
CID 72719282
tert-butyl N-[3-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919459
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 51085814
3-(2-bromophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647509
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide (CID 126853012) is 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide is CN(C)S(=O)(=O)N1CCC(CNC(=O)CCc2ccccc2Br)CC1.
What is the InChIKey of 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is MEBBYTFOKQVLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O3S/c1-20(2)25(23,24)21-11-9-14(10-12-21)13-19-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,14H,7-13H2,1-2H3,(H,19,22).
What are the key properties of 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide?
3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 432.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 126853012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).