N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide

C20H33N3O3S — CID 50819080

IUPACN-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide
SMILESCc1ccc(CC(=O)N(CCC(C)C)CCS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-17(2)8-11-22(20(24)16-19-6-4-18(3)5-7-19)14-15-27(25,26)23-12-9-21-10-13-23/h4-7,17,21H,8-16H2,1-3H3
InChIKeyLYKJBCONKNUEFZ-UHFFFAOYSA-N
MW395.57 g/mol
LogP1.65
Rot. Bonds9

About N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide

N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide (PubChem CID 50819080) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide
PubChem CID50819080
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide
SMILESCc1ccc(CC(=O)N(CCC(C)C)CCS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-17(2)8-11-22(20(24)16-19-6-4-18(3)5-7-19)14-15-27(25,26)23-12-9-21-10-13-23/h4-7,17,21H,8-16H2,1-3H3
InChIKeyLYKJBCONKNUEFZ-UHFFFAOYSA-N
XLogP1.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50821035
2-methoxy-N-(3-methylbutyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061557
N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 50821050
N-cyclopropyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50819158
2,5-dimethyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971432
4-fluoro-N-(3-methylbutyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971322
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide
CID 50819223
4-bromo-N-(3-methylbutyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146061723
2-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090765
4-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090789
N-ethyl-4-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146061729

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide (CID 50819080) is N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide is Cc1ccc(CC(=O)N(CCC(C)C)CCS(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide?
The InChIKey is LYKJBCONKNUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-17(2)8-11-22(20(24)16-19-6-4-18(3)5-7-19)14-15-27(25,26)23-12-9-21-10-13-23/h4-7,17,21H,8-16H2,1-3H3.
What are the key properties of N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide?
N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide has a molecular weight of 395.57 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-methylphenyl)-N-(2-piperazin-1-ylsulfonylethyl)acetamide is sourced from PubChem (CID 50819080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).