2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide

C19H30BrN3O3S — CID 60556146

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
SMILESCC1CCCCN1CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H30BrN3O3S/c1-16-7-3-5-13-23(16)14-6-4-12-21-19(24)15-22(2)27(25,26)18-10-8-17(20)9-11-18/h8-11,16H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyQUWWKCLALKEAJF-UHFFFAOYSA-N
MW460.44 g/mol
LogP2.84
Rot. Bonds9

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide (PubChem CID 60556146) has the molecular formula C19H30BrN3O3S and a molecular weight of 460.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
PubChem CID60556146
Molecular FormulaC19H30BrN3O3S
Molecular Weight460.44 g/mol
Exact Mass459.12
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
SMILESCC1CCCCN1CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H30BrN3O3S/c1-16-7-3-5-13-23(16)14-6-4-12-21-19(24)15-22(2)27(25,26)18-10-8-17(20)9-11-18/h8-11,16H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyQUWWKCLALKEAJF-UHFFFAOYSA-N
XLogP2.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330312
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 133200145
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 94876787
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92893418
1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 47036265
2-[benzenesulfonyl(methyl)amino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 95908806
methyl 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoate
CID 46488251
2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473795
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 27743901

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide (CID 60556146) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide is CC1CCCCN1CCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide?
The InChIKey is QUWWKCLALKEAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN3O3S/c1-16-7-3-5-13-23(16)14-6-4-12-21-19(24)15-22(2)27(25,26)18-10-8-17(20)9-11-18/h8-11,16H,3-7,12-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide has a molecular weight of 460.44 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide is sourced from PubChem (CID 60556146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).