2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide

C22H35N3O4S — CID 27796788

IUPAC2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)c(C)c1C
InChIInChI=1S/C22H35N3O4S/c1-14-15(2)17(4)20(18(5)16(14)3)30(28,29)25-11-9-24(10-12-25)19(26)13-23-21(27)22(6,7)8/h9-13H2,1-8H3,(H,23,27)
InChIKeyUCCLKDQKEAIFLX-UHFFFAOYSA-N
MW437.61 g/mol
LogP2.22
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide (PubChem CID 27796788) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide
PubChem CID27796788
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)c(C)c1C
InChIInChI=1S/C22H35N3O4S/c1-14-15(2)17(4)20(18(5)16(14)3)30(28,29)25-11-9-24(10-12-25)19(26)13-23-21(27)22(6,7)8/h9-13H2,1-8H3,(H,23,27)
InChIKeyUCCLKDQKEAIFLX-UHFFFAOYSA-N
XLogP2.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9221068
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 55720089
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 2688191
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 38073776
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404196
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 32711265
(E)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9221066
[(1S,2R)-2-methylcyclopropyl]-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27796780
[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea
CID 9220162

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide (CID 27796788) is 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide is Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)C(C)(C)C)CC2)c(C)c1C.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide?
The InChIKey is UCCLKDQKEAIFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-14-15(2)17(4)20(18(5)16(14)3)30(28,29)25-11-9-24(10-12-25)19(26)13-23-21(27)22(6,7)8/h9-13H2,1-8H3,(H,23,27).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide has a molecular weight of 437.61 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 27796788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).