N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide

C22H33N3O4S — CID 55648006

IUPACN-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O4S/c1-3-17(2)18-8-10-20(11-9-18)30(28,29)25-14-12-24(13-15-25)21(26)16-23-22(27)19-6-4-5-7-19/h8-11,17,19H,3-7,12-16H2,1-2H3,(H,23,27)
InChIKeyRSEBTUPGWIXJFI-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.34
Rot. Bonds7

About N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 55648006) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID55648006
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC NameN-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C22H33N3O4S/c1-3-17(2)18-8-10-20(11-9-18)30(28,29)25-14-12-24(13-15-25)21(26)16-23-22(27)19-6-4-5-7-19/h8-11,17,19H,3-7,12-16H2,1-2H3,(H,23,27)
InChIKeyRSEBTUPGWIXJFI-UHFFFAOYSA-N
XLogP2.34
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide 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

[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46581941
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119684565
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55556370
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
1-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-[(1R)-cyclopent-2-en-1-yl]ethanone
CID 9155292
2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8003679
N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 26870754
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119268600
1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 2466148
[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 9230162

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide (CID 55648006) is N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide is CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is RSEBTUPGWIXJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-3-17(2)18-8-10-20(11-9-18)30(28,29)25-14-12-24(13-15-25)21(26)16-23-22(27)19-6-4-5-7-19/h8-11,17,19H,3-7,12-16H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 435.59 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 55648006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).