N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide

C20H33N3O3S — CID 8747802

IUPACN-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)c1C
InChIInChI=1S/C20H33N3O3S/c1-14(2)12-21-19(24)13-22-7-9-23(10-8-22)27(25,26)20-17(5)15(3)11-16(4)18(20)6/h11,14H,7-10,12-13H2,1-6H3,(H,21,24)
InChIKeyKNTBJYCORXKMGK-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.00
Rot. Bonds6

About N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8747802) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8747802
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)c1C
InChIInChI=1S/C20H33N3O3S/c1-14(2)12-21-19(24)13-22-7-9-23(10-8-22)27(25,26)20-17(5)15(3)11-16(4)18(20)6/h11,14H,7-10,12-13H2,1-6H3,(H,21,24)
InChIKeyKNTBJYCORXKMGK-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747794
N-[(2R)-butan-2-yl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747785
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 40797788
N-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27181214
N-tert-butyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843351
N-(prop-2-enylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27181136
N-ethyl-2-[4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55567566
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30172111
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8746920
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8744306
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 32711265
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8553724

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8747802) is N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)c1C.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is KNTBJYCORXKMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-14(2)12-21-19(24)13-22-7-9-23(10-8-22)27(25,26)20-17(5)15(3)11-16(4)18(20)6/h11,14H,7-10,12-13H2,1-6H3,(H,21,24).
What are the key properties of N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 395.57 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8747802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).