1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one

C22H30N2O3S2 — CID 112794619

IUPAC1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3cccs3)CC2)cc1
InChIInChI=1S/C22H30N2O3S2/c1-3-18(2)19-9-11-21(12-10-19)29(26,27)24-15-13-23(14-16-24)22(25)8-4-6-20-7-5-17-28-20/h5,7,9-12,17-18H,3-4,6,8,13-16H2,1-2H3
InChIKeyUYZVTPVXAJCJLX-UHFFFAOYSA-N
MW434.63 g/mol
LogP4.12
Rot. Bonds8

About 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one

1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one (PubChem CID 112794619) has the molecular formula C22H30N2O3S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
PubChem CID112794619
Molecular FormulaC22H30N2O3S2
Molecular Weight434.63 g/mol
Exact Mass434.17
IUPAC Name1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3cccs3)CC2)cc1
InChIInChI=1S/C22H30N2O3S2/c1-3-18(2)19-9-11-21(12-10-19)29(26,27)24-15-13-23(14-16-24)22(25)8-4-6-20-7-5-17-28-20/h5,7,9-12,17-18H,3-4,6,8,13-16H2,1-2H3
InChIKeyUYZVTPVXAJCJLX-UHFFFAOYSA-N
XLogP4.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 2458753
1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 17461875
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 8922837
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 26872241
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 17425369
[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 9230162
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 8622747
2-oxo-N-propan-2-yl-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
CID 51305589
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 55542892
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
N-[4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108569277

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one (CID 112794619) is 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one is CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3cccs3)CC2)cc1.
What is the InChIKey of 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one?
The InChIKey is UYZVTPVXAJCJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S2/c1-3-18(2)19-9-11-21(12-10-19)29(26,27)24-15-13-23(14-16-24)22(25)8-4-6-20-7-5-17-28-20/h5,7,9-12,17-18H,3-4,6,8,13-16H2,1-2H3.
What are the key properties of 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one?
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one has a molecular weight of 434.63 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 112794619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).