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

C21H35N3O3S — CID 8747794

IUPACN-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NCCC(C)C)CC2)c1C
InChIInChI=1S/C21H35N3O3S/c1-15(2)7-8-22-20(25)14-23-9-11-24(12-10-23)28(26,27)21-18(5)16(3)13-17(4)19(21)6/h13,15H,7-12,14H2,1-6H3,(H,22,25)
InChIKeySSKMYPHLZYQZLD-UHFFFAOYSA-N
MW409.60 g/mol
LogP2.39
Rot. Bonds7

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

N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8747794) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8747794
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC NameN-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NCCC(C)C)CC2)c1C
InChIInChI=1S/C21H35N3O3S/c1-15(2)7-8-22-20(25)14-23-9-11-24(12-10-23)28(26,27)21-18(5)16(3)13-17(4)19(21)6/h13,15H,7-12,14H2,1-6H3,(H,22,25)
InChIKeySSKMYPHLZYQZLD-UHFFFAOYSA-N
XLogP2.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747802
2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 9443869
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
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30172111
N-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27181214
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 9258084
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8747981
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
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
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8804048

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8747794) is N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NCCC(C)C)CC2)c1C.
What is the InChIKey of N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is SSKMYPHLZYQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-15(2)7-8-22-20(25)14-23-9-11-24(12-10-23)28(26,27)21-18(5)16(3)13-17(4)19(21)6/h13,15H,7-12,14H2,1-6H3,(H,22,25).
What are the key properties of N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(3-methylbutyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 409.60 g/mol, XLogP of 2.39, 7 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-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8747794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).